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Home > Nitro Compounds > 1909309-41-6
1909309-41-6 | 1-(2-methyl-3-nitrophenyl)-1H-1,2,3,4-tetrazole
CAS No: 1909309-41-6 Catalog No: AG01B266 MDL No:MFCD29907326
Product Description
Catalog Number:
AG01B266
Chemical Name:
1-(2-methyl-3-nitrophenyl)-1H-1,2,3,4-tetrazole
CAS Number:
1909309-41-6
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
MDL Number:
MFCD29907326
IUPAC Name:
1-(2-methyl-3-nitrophenyl)tetrazole
InChI:
InChI=1S/C8H7N5O2/c1-6-7(12-5-9-10-11-12)3-2-4-8(6)13(14)15/h2-5H,1H3
InChI Key:
VXIMDDBJKXHHGE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)n1cnnn1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.177g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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