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Home > Boronic Acids > 1612256-37-7
1612256-37-7 | Benzoic acid, 2-borono-5-chloro-, 1-methyl ester
CAS No: 1612256-37-7 Catalog No: AG001S9D MDL No:MFCD25459257
Product Description
Catalog Number:
AG001S9D
Chemical Name:
Benzoic acid, 2-borono-5-chloro-, 1-methyl ester
CAS Number:
1612256-37-7
Molecular Formula:
C8H8BClO4
Molecular Weight:
214.4107
MDL Number:
MFCD25459257
IUPAC Name:
(4-chloro-2-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BClO4/c1-14-8(11)6-4-5(10)2-3-7(6)9(12)13/h2-4,12-13H,1H3
InChI Key:
CVYLRXWWSGNWHX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1B(O)O
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.408g/mol
Monoisotopic Mass:
214.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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