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88958-20-7 | 1H-1,2,3-Triazole-4-carbonyl chloride, 5-methyl-1-(4-methylphenyl)-
CAS No: 88958-20-7 Catalog No: AG0046K0 MDL No:
Product Description
Catalog Number:
AG0046K0
Chemical Name:
1H-1,2,3-Triazole-4-carbonyl chloride, 5-methyl-1-(4-methylphenyl)-
CAS Number:
88958-20-7
Molecular Formula:
C11H10ClN3O
Molecular Weight:
235.6696
IUPAC Name:
5-methyl-1-(4-methylphenyl)triazole-4-carbonyl chloride
InChI:
InChI=1S/C11H10ClN3O/c1-7-3-5-9(6-4-7)15-8(2)10(11(12)16)13-14-15/h3-6H,1-2H3
InChI Key:
JADFIFDJQGJGRO-UHFFFAOYSA-N
SMILES:
ClC(=O)c1nnn(c1C)c1ccc(cc1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.671g/mol
Monoisotopic Mass:
235.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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