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124421-11-0 | Benzene, 1-chloro-3,5-dimethyl-2-nitro-
CAS No: 124421-11-0 Catalog No: AG000LZ7 MDL No:
Product Description
Catalog Number:
AG000LZ7
Chemical Name:
Benzene, 1-chloro-3,5-dimethyl-2-nitro-
CAS Number:
124421-11-0
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
IUPAC Name:
1-chloro-3,5-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C8H8ClNO2/c1-5-3-6(2)8(10(11)12)7(9)4-5/h3-4H,1-2H3
InChI Key:
MKRBHWVTZIIMIT-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)Cl)[N+](=O)[O-]
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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