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1003042-41-8 | Boronic acid, B-(2-amino-5-chlorophenyl)-
CAS No: 1003042-41-8 Catalog No: AG0001JR MDL No:MFCD12546460
Product Description
Catalog Number:
AG0001JR
Chemical Name:
Boronic acid, B-(2-amino-5-chlorophenyl)-
CAS Number:
1003042-41-8
Molecular Formula:
C6H7BClNO2
Molecular Weight:
171.3893
MDL Number:
MFCD12546460
IUPAC Name:
(2-amino-5-chlorophenyl)boronic acid
InChI:
InChI=1S/C6H7BClNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,10-11H,9H2
InChI Key:
NCHRUWKNTBNIBK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)B(O)O)N
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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