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Home > Boronic Acids > 874219-45-1
874219-45-1 | 4-Chloro-3-(methoxycarbonyl)phenylboronic acid
CAS No: 874219-45-1 Catalog No: AG004J9L MDL No:MFCD06801690
Product Description
Catalog Number:
AG004J9L
Chemical Name:
4-Chloro-3-(methoxycarbonyl)phenylboronic acid
CAS Number:
874219-45-1
Molecular Formula:
C8H8BClO4
Molecular Weight:
214.4107
MDL Number:
MFCD06801690
IUPAC Name:
(4-chloro-3-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BClO4/c1-14-8(11)6-4-5(9(12)13)2-3-7(6)10/h2-4,12-13H,1H3
InChI Key:
YEPWHDGFBVDINZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1Cl)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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