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Home > Nitro Compounds > 603-02-1
603-02-1 | Benzene, 1,3-dimethyldinitro-
CAS No: 603-02-1 Catalog No: AG00JCXX MDL No:MFCD00051017
Product Description
Catalog Number:
AG00JCXX
Chemical Name:
Benzene, 1,3-dimethyldinitro-
CAS Number:
603-02-1
Molecular Formula:
C8H8N2O4
Molecular Weight:
196.1601
MDL Number:
MFCD00051017
IUPAC Name:
1,3-dimethyl-2,4-dinitrobenzene
InChI:
InChI=1S/C8H8N2O4/c1-5-3-4-7(9(11)12)6(2)8(5)10(13)14/h3-4H,1-2H3
InChI Key:
XUUSVHGZGPBZLS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)[N+](=O)[O-])C
EC Number:
210-029-2
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.048g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.162g/mol
Monoisotopic Mass:
196.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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