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132794-07-1

132794-07-1 | Benzoic acid, 4-chloro-2,5-difluoro-

CAS No: 132794-07-1 Catalog No: AG001168 MDL No:MFCD00077480

Product Description

Catalog Number:
AG001168
Chemical Name:
Benzoic acid, 4-chloro-2,5-difluoro-
CAS Number:
132794-07-1
Molecular Formula:
C7H3ClF2O2
Molecular Weight:
192.5473
MDL Number:
MFCD00077480
IUPAC Name:
4-chloro-2,5-difluorobenzoic acid
InChI:
InChI=1S/C7H3ClF2O2/c8-4-2-5(9)3(7(11)12)1-6(4)10/h1-2H,(H,11,12)
InChI Key:
PEPCYJSDHYMIFN-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)O)c(cc1Cl)F

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.546g/mol
Monoisotopic Mass:
191.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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