3-BROMO-5-PROPOXYPHENYLBORONIC ACID

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Catalog Number
ACM871126271
Product Name
3-BROMO-5-PROPOXYPHENYLBORONIC ACID
Structure
Structure
CAS
871126-27-1
Category
Heterocyclic Organic Compound
IUPAC Name
(3-bromo-5-propoxyphenyl)boronic acid
Molecular Weight
258.91g/mol
Molecular Formula
C9H12BBrO3
Canonical SMILES
B(C1=CC(=CC(=C1)Br)OCCC)(O)O
InChI
InChI=1S/C9H12BBrO3/c1-2-3-14-9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,2-3H2,1H3
InChI Key
OHFYAFQVSGUNME-UHFFFAOYSA-N
Complexity
168
Covalently-Bonded Unit Count
1
Exact Mass
258.00629g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
2
Heavy Atom Count
14
Monoisotopic Mass
258.00629g/mol
Rotatable Bond Count
4
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