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18349-11-6 | Benzene, 1-chloro-5-fluoro-4-methyl-2-nitro-
CAS No: 18349-11-6 Catalog No: AG0027MH MDL No:MFCD00134231
Product Description
Catalog Number:
AG0027MH
Chemical Name:
Benzene, 1-chloro-5-fluoro-4-methyl-2-nitro-
CAS Number:
18349-11-6
Molecular Formula:
C7H5ClFNO2
Molecular Weight:
189.5715
MDL Number:
MFCD00134231
IUPAC Name:
1-chloro-5-fluoro-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3
InChI Key:
SJDPAVRCQNFVDM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C)c(cc1Cl)F
EC Number:
242-225-9
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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