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Home > Nitro Compounds > 88958-24-1
88958-24-1 | 1H-1,2,3-Triazole-4-carbonyl chloride, 5-methyl-1-(4-nitrophenyl)-
CAS No: 88958-24-1 Catalog No: AG0046JZ MDL No:
Product Description
Catalog Number:
AG0046JZ
Chemical Name:
1H-1,2,3-Triazole-4-carbonyl chloride, 5-methyl-1-(4-nitrophenyl)-
CAS Number:
88958-24-1
Molecular Formula:
C10H7ClN4O3
Molecular Weight:
266.6406
IUPAC Name:
5-methyl-1-(4-nitrophenyl)triazole-4-carbonyl chloride
InChI:
InChI=1S/C10H7ClN4O3/c1-6-9(10(11)16)12-13-14(6)7-2-4-8(5-3-7)15(17)18/h2-5H,1H3
InChI Key:
MMEZLZAGDCRQTP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nnc(c1C)C(=O)Cl
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.641g/mol
Monoisotopic Mass:
266.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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