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Home > Nitro Compounds > 6971-33-1
6971-33-1 | 3-NITRO-4-NITROSOTOLUENE
CAS No: 6971-33-1 Catalog No: AG00FVEI MDL No:
Product Description
Catalog Number:
AG00FVEI
Chemical Name:
3-NITRO-4-NITROSOTOLUENE
CAS Number:
6971-33-1
IUPAC Name:
4-methyl-2-nitro-1-nitrosobenzene
InChI:
InChI=1S/C7H6N2O3/c1-5-2-3-6(8-10)7(4-5)9(11)12/h2-4H,1H3
InChI Key:
UORRERBFSRQJHQ-UHFFFAOYSA-N
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.136g/mol
Monoisotopic Mass:
166.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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