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1263376-11-9 | 2,5-Dichloro-3,6-difluorobenzoic acid
CAS No: 1263376-11-9 Catalog No: AG01FCZV MDL No:MFCD18379846
Product Description
Catalog Number:
AG01FCZV
Chemical Name:
2,5-Dichloro-3,6-difluorobenzoic acid
CAS Number:
1263376-11-9
Molecular Formula:
C7H2Cl2F2O2
Molecular Weight:
226.9924
MDL Number:
MFCD18379846
IUPAC Name:
2,5-dichloro-3,6-difluorobenzoic acid
InChI:
InChI=1S/C7H2Cl2F2O2/c8-2-1-3(10)5(9)4(6(2)11)7(12)13/h1H,(H,12,13)
InChI Key:
WPPSGZAMTMJKIJ-UHFFFAOYSA-N
SMILES:
Clc1cc(F)c(c(c1F)C(=O)O)Cl
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.988g/mol
Monoisotopic Mass:
225.94g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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