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1167056-41-8 | Benzene, 5-chloro-1-fluoro-2-methyl-3-nitro-
CAS No: 1167056-41-8 Catalog No: AG000D31 MDL No:MFCD11845595
Product Description
Catalog Number:
AG000D31
Chemical Name:
Benzene, 5-chloro-1-fluoro-2-methyl-3-nitro-
CAS Number:
1167056-41-8
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD11845595
IUPAC Name:
5-chloro-1-fluoro-2-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H5ClFNO2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,1H3
InChI Key:
YSOBDYQLSRVAOD-UHFFFAOYSA-N
SMILES:
Clc1cc(F)c(c(c1)[N+](=O)[O-])C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.57g/mol
Monoisotopic Mass:
188.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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