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Home > Boronic Acids > 136496-72-5
136496-72-5 | Benzoic acid, 4-borono-2-chloro-
CAS No: 136496-72-5 Catalog No: AG0011WZ MDL No:MFCD06656268
Product Description
Catalog Number:
AG0011WZ
Chemical Name:
Benzoic acid, 4-borono-2-chloro-
CAS Number:
136496-72-5
Molecular Formula:
C7H6BClO4
Molecular Weight:
200.3841
MDL Number:
MFCD06656268
IUPAC Name:
4-borono-2-chlorobenzoic acid
InChI:
InChI=1S/C7H6BClO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11)
InChI Key:
QFAFGWXQNDYXPZ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)Cl)C(=O)O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
200.381g/mol
Monoisotopic Mass:
200.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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