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Home > Boronic Acids > 603122-82-3
603122-82-3 | (3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID
CAS No: 603122-82-3 Catalog No: AG00EB2N MDL No:MFCD06659874
Product Description
Catalog Number:
AG00EB2N
Chemical Name:
(3-CHLORO-4-METHOXYCARBONYL)BENZENEBORONIC ACID
CAS Number:
603122-82-3
Molecular Formula:
C8H8BClO4
Molecular Weight:
214.4107
MDL Number:
MFCD06659874
IUPAC Name:
(3-chloro-4-methoxycarbonylphenyl)boronic acid
InChI:
InChI=1S/C8H8BClO4/c1-14-8(11)6-3-2-5(9(12)13)4-7(6)10/h2-4,12-13H,1H3
InChI Key:
DJOMWLVGTUQULT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Cl)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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