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Home > Boronic Acids > 221006-67-3
221006-67-3 | 4-BROMO-3-METHYLPHENYLBORONIC ACID
CAS No: 221006-67-3 Catalog No: AG00BIF5 MDL No:MFCD17011983
Product Description
Catalog Number:
AG00BIF5
Chemical Name:
4-BROMO-3-METHYLPHENYLBORONIC ACID
CAS Number:
221006-67-3
Molecular Formula:
C7H8BBrO2
Molecular Weight:
214.8522
MDL Number:
MFCD17011983
IUPAC Name:
(4-bromo-3-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BBrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,10-11H,1H3
InChI Key:
WATLRNVCMDWRNM-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)C)Br)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.853g/mol
Monoisotopic Mass:
213.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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