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1436612-57-5

1436612-57-5 | 2-chloro-4-nitrophenylboronic acid

CAS No: 1436612-57-5 Catalog No: AG00AQH2 MDL No:MFCD20529452

Product Description

Catalog Number:
AG00AQH2
Chemical Name:
2-chloro-4-nitrophenylboronic acid
CAS Number:
1436612-57-5
Molecular Formula:
C6H5BClNO4
Molecular Weight:
201.3722
MDL Number:
MFCD20529452
IUPAC Name:
(2-chloro-4-nitrophenyl)boronic acid
InChI:
InChI=1S/C6H5BClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3,10-11H
InChI Key:
UQGPTZONRAXNDF-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1Cl)[N+](=O)[O-])O

Properties

Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
201.369g/mol
Monoisotopic Mass:
201g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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