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Home > Boronic Acids > 854778-30-6
854778-30-6 | (2-Chloro-3-methoxyphenyl)boronic acid
CAS No: 854778-30-6 Catalog No: AG00337I MDL No:MFCD12913933
Product Description
Catalog Number:
AG00337I
Chemical Name:
(2-Chloro-3-methoxyphenyl)boronic acid
CAS Number:
854778-30-6
Molecular Formula:
C7H8BClO3
Molecular Weight:
186.4006
MDL Number:
MFCD12913933
IUPAC Name:
(2-chloro-3-methoxyphenyl)boronic acid
InChI:
InChI=1S/C7H8BClO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,10-11H,1H3
InChI Key:
ZDWONVAXOXYOJK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1Cl)B(O)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.398g/mol
Monoisotopic Mass:
186.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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