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Home > Nitro Compounds > 1276538-19-2
1276538-19-2 | 4-ethyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
CAS No: 1276538-19-2 Catalog No: AG00IXHH MDL No:MFCD20921608
Product Description
Catalog Number:
AG00IXHH
Chemical Name:
4-ethyl-1-(4-nitrophenyl)-1H-1,2,3-triazole
CAS Number:
1276538-19-2
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
MDL Number:
MFCD20921608
IUPAC Name:
4-ethyl-1-(4-nitrophenyl)triazole
InChI:
InChI=1S/C10H10N4O2/c1-2-8-7-13(12-11-8)9-3-5-10(6-4-9)14(15)16/h3-7H,2H2,1H3
InChI Key:
NSFJULHTFQSZNS-UHFFFAOYSA-N
SMILES:
CCc1nnn(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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