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Home > Nitro Compounds > 155631-68-8
155631-68-8 | 1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole
CAS No: 155631-68-8 Catalog No: AG01EU98 MDL No:MFCD00971369
Product Description
Catalog Number:
AG01EU98
Chemical Name:
1-[(2-Nitrophenyl)methyl]-1H-1,2,3-benzotriazole
CAS Number:
155631-68-8
Molecular Formula:
C13H10N4O2
Molecular Weight:
254.2441
MDL Number:
MFCD00971369
IUPAC Name:
1-[(2-nitrophenyl)methyl]benzotriazole
InChI:
InChI=1S/C13H10N4O2/c18-17(19)12-7-3-1-5-10(12)9-16-13-8-4-2-6-11(13)14-15-16/h1-8H,9H2
InChI Key:
VPYJATNURUKOLZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1Cn1nnc2c1cccc2
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.249g/mol
Monoisotopic Mass:
254.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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