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115571-67-0 | Benzene, 2,3-dichloro-4-methyl-5-nitro-1-(trifluoromethyl)-
CAS No: 115571-67-0 Catalog No: AG000G6H MDL No:MFCD08063381
Product Description
Catalog Number:
AG000G6H
Chemical Name:
Benzene, 2,3-dichloro-4-methyl-5-nitro-1-(trifluoromethyl)-
CAS Number:
115571-67-0
Molecular Formula:
C8H4Cl2F3NO2
Molecular Weight:
274.0241
MDL Number:
MFCD08063381
IUPAC Name:
3,4-dichloro-2-methyl-1-nitro-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H4Cl2F3NO2/c1-3-5(14(15)16)2-4(8(11,12)13)7(10)6(3)9/h2H,1H3
InChI Key:
KKTAAKBKRGSPOV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(c(c1C)Cl)Cl)C(F)(F)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.957g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.02g/mol
Monoisotopic Mass:
272.957g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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