Name: Name:Benzene, 1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)-
Brand: Angene
SKU: AG0021RH
Rating: 90 (10 reviews)

Benzene, 1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)-

CAS No.:

18018-35-4

Catalog Number:

AG0021RH

Molecular Formula:

C8H5ClF3NO2

Molecular Weight:

239.5790

Catalog Number:

AG0021RH

Chemical Name:

Benzene, 1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)-

CAS Number:

18018-35-4

Molecular Formula:

C8H5ClF3NO2

Molecular Weight:

239.5790

MDL Number:

MFCD07779304

IUPAC Name:

1-chloro-5-methyl-2-nitro-4-(trifluoromethyl)benzene

InChI:

InChI=1S/C8H5ClF3NO2/c1-4-2-6(9)7(13(14)15)3-5(4)8(10,11)12/h2-3H,1H3

InChI Key:

KUHLWZXQJQGDRS-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cc(c(cc1Cl)C)C(F)(F)F

Complexity:

253

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

238.996g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.578g/mol

Monoisotopic Mass:

238.996g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6