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132992-44-0

132992-44-0 | Benzoic acid, 2-chloro-4,5-difluoro-3-nitro-

CAS No: 132992-44-0 Catalog No: AG0011GR MDL No:MFCD12173016

Product Description

Catalog Number:
AG0011GR
Chemical Name:
Benzoic acid, 2-chloro-4,5-difluoro-3-nitro-
CAS Number:
132992-44-0
Molecular Formula:
C7H2ClF2NO4
Molecular Weight:
237.5449
MDL Number:
MFCD12173016
IUPAC Name:
2-chloro-4,5-difluoro-3-nitrobenzoic acid
InChI:
InChI=1S/C7H2ClF2NO4/c8-4-2(7(12)13)1-3(9)5(10)6(4)11(14)15/h1H,(H,12,13)
InChI Key:
VCDHXXPXZNMKSL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)c(cc(c1F)F)C(=O)O

Properties

Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.543g/mol
Monoisotopic Mass:
236.964g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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