Structure

(2-Methoxy-5-nitrophenyl)acetonitrile

CAS
99459-52-6
Catalog Number
ACM99459526
Category
Other Products
Molecular Weight
192.171420 [g/mol]
Molecular Formula
C9H8N2O3

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Specification

Synonyms
(2-Methoxy-5-nitrophenyl)acetonitrile, 99459-52-6, PubChem19688, SureCN2191809, AKOS009293088
IUPAC Name
2-(2-methoxy-5-nitrophenyl)acetonitrile
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])CC#N
InChI Key
ICFOJUUJPXGJNE-UHFFFAOYSA-N
Exact Mass
192.05300
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of (2-Methoxy-5-nitrophenyl)acetonitrile?

The molecular formula is C9H8N2O3.

When was the PubChem CID of (2-Methoxy-5-nitrophenyl)acetonitrile created?

It was created on 2007-02-08.

What is the molecular weight of (2-Methoxy-5-nitrophenyl)acetonitrile?

The molecular weight is 192.17 g/mol.

What is the IUPAC Name of (2-Methoxy-5-nitrophenyl)acetonitrile?

The IUPAC Name is 2-(2-methoxy-5-nitrophenyl)acetonitrile.

How many hydrogen bond donor counts are present in (2-Methoxy-5-nitrophenyl)acetonitrile?

There are 0 hydrogen bond donor counts.

What is the Canonical SMILES of (2-Methoxy-5-nitrophenyl)acetonitrile?

The Canonical SMILES is COC1=C(C=C(C=C1)[N+](=O)[O-])CC#N.

How many rotatable bond counts are in (2-Methoxy-5-nitrophenyl)acetonitrile?

There are 2 rotatable bond counts.

What is the Exact Mass of (2-Methoxy-5-nitrophenyl)acetonitrile?

The Exact Mass is 192.05349212 g/mol.

Is the compound Canonicalized?

Yes, the compound is canonicalized.

What is the InChIKey of (2-Methoxy-5-nitrophenyl)acetonitrile?

The InChIKey is ICFOJUUJPXGJNE-UHFFFAOYSA-N.

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