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850689-36-0 | (3-Amino-4-chlorophenyl)boronic acid
CAS No: 850689-36-0 Catalog No: AG0036E7 MDL No:MFCD03095254
Product Description
Catalog Number:
AG0036E7
Chemical Name:
(3-Amino-4-chlorophenyl)boronic acid
CAS Number:
850689-36-0
Molecular Formula:
C6H7BClNO2
Molecular Weight:
171.3893
MDL Number:
MFCD03095254
IUPAC Name:
(3-amino-4-chlorophenyl)boronic acid
InChI:
InChI=1S/C6H7BClNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H,9H2
InChI Key:
CSGAGFPHVVBHDF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)N)Cl)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.387g/mol
Monoisotopic Mass:
171.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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