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Home > Boronic Acids > 175883-63-3
175883-63-3 | Boronic acid, B-(3-chloro-4-methylphenyl)-
CAS No: 175883-63-3 Catalog No: AG00219B MDL No:MFCD04039010
Product Description
Catalog Number:
AG00219B
Chemical Name:
Boronic acid, B-(3-chloro-4-methylphenyl)-
CAS Number:
175883-63-3
Molecular Formula:
C7H8BClO2
Molecular Weight:
170.4012
MDL Number:
MFCD04039010
IUPAC Name:
(3-chloro-4-methylphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3
InChI Key:
YTJUYWRCAZWVSX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)Cl)C)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:
170.031g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
170.399g/mol
Monoisotopic Mass:
170.031g/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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