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Home > Nitro Compounds > 26861-64-3
26861-64-3 | 1-(2-Nitroethyl)-1H-1,2,3-benzotriazole
CAS No: 26861-64-3 Catalog No: AG01EUNB MDL No:
Product Description
Catalog Number:
AG01EUNB
Chemical Name:
1-(2-Nitroethyl)-1H-1,2,3-benzotriazole
CAS Number:
26861-64-3
Molecular Formula:
C8H8N4O2
Molecular Weight:
192.1747
IUPAC Name:
1-(2-nitroethyl)benzotriazole
InChI:
InChI=1S/C8H8N4O2/c13-12(14)6-5-11-8-4-2-1-3-7(8)9-10-11/h1-4H,5-6H2
InChI Key:
KXBLIYWEWXAPHP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCn1nnc2c1cccc2
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.178g/mol
Monoisotopic Mass:
192.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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