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29682-46-0 | Benzene, 1,3-dichloro-2-methyl-4-nitro-
CAS No: 29682-46-0 Catalog No: AG002Z48 MDL No:MFCD00024185
Product Description
Catalog Number:
AG002Z48
Chemical Name:
Benzene, 1,3-dichloro-2-methyl-4-nitro-
CAS Number:
29682-46-0
Molecular Formula:
C7H5Cl2NO2
Molecular Weight:
206.0261
MDL Number:
MFCD00024185
IUPAC Name:
1,3-dichloro-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C7H5Cl2NO2/c1-4-5(8)2-3-6(7(4)9)10(11)12/h2-3H,1H3
InChI Key:
WBNZUUIFTPNYRN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1Cl)C)Cl
EC Number:
249-776-4
NSC Number:
102503
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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