200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 88958-17-2
88958-17-2 | 1H-1,2,3-Triazole-4-carbonyl chloride, 5-methyl-1-phenyl-
CAS No: 88958-17-2 Catalog No: AG0046K1 MDL No:
Product Description
Catalog Number:
AG0046K1
Chemical Name:
1H-1,2,3-Triazole-4-carbonyl chloride, 5-methyl-1-phenyl-
CAS Number:
88958-17-2
Molecular Formula:
C10H8ClN3O
Molecular Weight:
221.6430
IUPAC Name:
5-methyl-1-phenyltriazole-4-carbonyl chloride
InChI:
InChI=1S/C10H8ClN3O/c1-7-9(10(11)15)12-13-14(7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
KFWRYKSHNZRMLM-UHFFFAOYSA-N
SMILES:
ClC(=O)c1nnn(c1C)c1ccccc1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.644g/mol
Monoisotopic Mass:
221.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.