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13790-14-2 | Benzene, 1,3-dichloro-4-methyl-2-nitro-
CAS No: 13790-14-2 Catalog No: AG00142R MDL No:MFCD21608272
Product Description
Catalog Number:
AG00142R
Chemical Name:
Benzene, 1,3-dichloro-4-methyl-2-nitro-
CAS Number:
13790-14-2
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
MDL Number:
MFCD21608272
IUPAC Name:
1,3-dichloro-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H5Cl2NO2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,1H3
InChI Key:
JPGMJOAPBGZPKD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Cl)ccc(c1Cl)C
EC Number:
237-448-3
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.022g/mol
Monoisotopic Mass:
204.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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