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Home > Nitro Compounds > 832741-16-9
832741-16-9 | 4-[(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)METHYL]BENZOHYDRAZIDE
CAS No: 832741-16-9 Catalog No: AG01ANO9 MDL No:MFCD03423071
Product Description
Catalog Number:
AG01ANO9
Chemical Name:
4-[(3-NITRO-1H-1,2,4-TRIAZOL-1-YL)METHYL]BENZOHYDRAZIDE
CAS Number:
832741-16-9
Molecular Formula:
C10H10N6O3
Molecular Weight:
262.2248
MDL Number:
MFCD03423071
IUPAC Name:
4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzohydrazide
InChI:
InChI=1S/C10H10N6O3/c11-13-9(17)8-3-1-7(2-4-8)5-15-6-12-10(14-15)16(18)19/h1-4,6H,5,11H2,(H,13,17)
InChI Key:
PZXLKNUDRRLMPR-UHFFFAOYSA-N
SMILES:
NNC(=O)c1ccc(cc1)Cn1cnc(n1)[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.081g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.229g/mol
Monoisotopic Mass:
262.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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