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Home > Boronic Acids > 913835-75-3
913835-75-3 | 5-CARBOXY-2-CHLOROBENZENEBORONIC ACID 98
CAS No: 913835-75-3 Catalog No: AG00GREJ MDL No:MFCD08689491
Product Description
Catalog Number:
AG00GREJ
Chemical Name:
5-CARBOXY-2-CHLOROBENZENEBORONIC ACID 98
CAS Number:
913835-75-3
Molecular Formula:
C7H6BClO4
Molecular Weight:
200.3841
MDL Number:
MFCD08689491
IUPAC Name:
3-borono-4-chlorobenzoic acid
InChI:
InChI=1S/C7H6BClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChI Key:
ZITWKFSVFMUWIE-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1Cl)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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