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Home > Boronic Acids > 957120-26-2
957120-26-2 | (3-Chloro-5-(methoxycarbonyl)phenyl)boronic acid
CAS No: 957120-26-2 Catalog No: AG006BL7 MDL No:MFCD09475906
Product Description
Catalog Number:
AG006BL7
Chemical Name:
(3-Chloro-5-(methoxycarbonyl)phenyl)boronic acid
CAS Number:
957120-26-2
Molecular Formula:
C8H8BClO4
Molecular Weight:
214.4107
MDL Number:
MFCD09475906
IUPAC Name:
(3-chloro-5-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BClO4/c1-14-8(11)5-2-6(9(12)13)4-7(10)3-5/h2-4,12-13H,1H3
InChI Key:
XRIPARKZRWXMTC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)Cl)B(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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