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114284-32-1 | 1H-Triazirin-1-amine, N-[(2-nitrophenyl)methylene]-
CAS No: 114284-32-1 Catalog No: AG000AYP MDL No:
Product Description
Catalog Number:
AG000AYP
Chemical Name:
1H-Triazirin-1-amine, N-[(2-nitrophenyl)methylene]-
CAS Number:
114284-32-1
Molecular Formula:
C7H5N5O2
Molecular Weight:
191.1469
IUPAC Name:
1-(2-nitrophenyl)-N-(triazirin-1-yl)methanimine
InChI:
InChI=1S/C7H5N5O2/c13-11(14)7-4-2-1-3-6(7)5-8-12-9-10-12/h1-5H
InChI Key:
MFDJFXLAGXGJGC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C=NN1N=N1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.15g/mol
Monoisotopic Mass:
191.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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