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Home > Nitro Compounds > 948-30-1
948-30-1 | 3-methyl-2,6-dinitrobenzonitrile
CAS No: 948-30-1 Catalog No: AG00JD6Q MDL No:MFCD19103268
Product Description
Catalog Number:
AG00JD6Q
Chemical Name:
3-methyl-2,6-dinitrobenzonitrile
CAS Number:
948-30-1
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
MDL Number:
MFCD19103268
IUPAC Name:
3-methyl-2,6-dinitrobenzonitrile
InChI:
InChI=1S/C8H5N3O4/c1-5-2-3-7(10(12)13)6(4-9)8(5)11(14)15/h2-3H,1H3
InChI Key:
GWFIKVZNVDFMQB-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccc(c1[N+](=O)[O-])C)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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