1-ethyl-1H-indazol-5-ylboronic acid

Name: 1-ethyl-1H-indazol-5-ylboronic acid
SKU: ACM952319709
Rating: 5 (1 reviews)

CAS

952319-70-9

Catalog Number

ACM952319709

Category

Other Products

Molecular Weight

190.006840 [g/mol]

Molecular Formula

C9H11BN2O2

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Specification

Synonyms

1-ethyl-1H-indazol-5-ylboronic acid, 952319-70-9, SureCN4251433, AKOS016014527, RL06002, (1-Ethyl-1H-indazol-5-yl)boronic acid, AK131387, KB-12081

IUPAC Name

(1-ethylindazol-5-yl)boronic acid

Canonical SMILES

B(C1=CC2=C(C=C1)N(N=C2)CC)(O)O

InChI Key

MZNBKIHVFSCZLH-UHFFFAOYSA-N

Exact Mass

190.09100

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 1-ethyl-1H-indazol-5-ylboronic acid?

The molecular formula of 1-ethyl-1H-indazol-5-ylboronic acid is C9H11BN2O2.

What is the molecular weight of 1-ethyl-1H-indazol-5-ylboronic acid?

The molecular weight of 1-ethyl-1H-indazol-5-ylboronic acid is 190.01 g/mol.

What is the IUPAC name of 1-ethyl-1H-indazol-5-ylboronic acid?

The IUPAC name of 1-ethyl-1H-indazol-5-ylboronic acid is (1-ethylindazol-5-yl)boronic acid.

What is the InChI of 1-ethyl-1H-indazol-5-ylboronic acid?

The InChI of 1-ethyl-1H-indazol-5-ylboronic acid is InChI=1S/C9H11BN2O2/c1-2-12-9-4-3-8(10(13)14)5-7(9)6-11-12/h3-6,13-14H,2H2,1H3.

What is the InChIKey of 1-ethyl-1H-indazol-5-ylboronic acid?

The InChIKey of 1-ethyl-1H-indazol-5-ylboronic acid is MZNBKIHVFSCZLH-UHFFFAOYSA-N.

What is the canonical SMILES of 1-ethyl-1H-indazol-5-ylboronic acid?

The canonical SMILES of 1-ethyl-1H-indazol-5-ylboronic acid is B(C1=CC2=C(C=C1)N(N=C2)CC)(O)O.

What is the CAS number of 1-ethyl-1H-indazol-5-ylboronic acid?

The CAS number of 1-ethyl-1H-indazol-5-ylboronic acid is 952319-70-9.

What is the DSSTox Substance ID of 1-ethyl-1H-indazol-5-ylboronic acid?

The DSSTox Substance ID of 1-ethyl-1H-indazol-5-ylboronic acid is DTXSID00739444.

Is 1-ethyl-1H-indazol-5-ylboronic acid a canonicalized compound?

Yes, 1-ethyl-1H-indazol-5-ylboronic acid is a canonicalized compound.

Upstream Synthesis Route 1

5419-55-6
7732-18-5

952319-70-9

Reference: [1] Patent: WO2012/119046, 2012, A2, . Location in patent: Page/Page column 80

Upstream Synthesis Route 2

53857-57-1

952319-70-9

Reference: [1] Patent: WO2012/119046, 2012, A2,

Upstream Synthesis Route 3

53857-57-1

952319-70-9

Reference: [1]Patent: WO2012/119046,2012,A2

Downstream Synthesis Route 1

1268867-67-9
952319-70-9

1396751-09-9

Reference: [1]Patent: WO2012/119046,2012,A2 .Location in patent: Page/Page column 80-81

Downstream Synthesis Route 2

952319-70-9

1396751-03-3

Reference: [1]Patent: WO2012/119046,2012,A2

* For details of the synthesis route, please refer to the original source to ensure accuracy.