Home Boronic acids (2-Amino-4-chlorophenyl);boronic acid

(2-Amino-4-chlorophenyl);boronic acid

CAS No.:
948592-74-3
Catalog Number:
AG005U8G
Molecular Formula:
C6H7BClNO2
Molecular Weight:
171.3893
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Product Description
Catalog Number:
AG005U8G
Chemical Name:
(2-Amino-4-chlorophenyl);boronic acid
CAS Number:
948592-74-3
Molecular Formula:
C6H7BClNO2
Molecular Weight:
171.3893
MDL Number:
MFCD18251268
IUPAC Name:
(2-amino-4-chlorophenyl)boronic acid
InChI:
InChI=1S/C6H7BClNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,10-11H,9H2
InChI Key:
DZHUKKXYYYMRGI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)N)B(O)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
Properties