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Home > Fluorides > 129951-46-8
129951-46-8 | 4,5-Difluoro-2-nitrobenzoyl chloride
CAS No: 129951-46-8 Catalog No: AG01FDHL MDL No:MFCD13185571
Product Description
Catalog Number:
AG01FDHL
Chemical Name:
4,5-Difluoro-2-nitrobenzoyl chloride
CAS Number:
129951-46-8
Molecular Formula:
C7H2ClF2NO3
Molecular Weight:
221.5455
MDL Number:
MFCD13185571
IUPAC Name:
4,5-difluoro-2-nitrobenzoyl chloride
InChI:
InChI=1S/C7H2ClF2NO3/c8-7(12)3-1-4(9)5(10)2-6(3)11(13)14/h1-2H
InChI Key:
XMDTVBHFULRTBH-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(F)c(cc1[N+](=O)[O-])F
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.544g/mol
Monoisotopic Mass:
220.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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