200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 115057-50-6
115057-50-6 | 1H-1,2,3-Triazole-4-carboxamide, 5-chloro-N-phenyl-
CAS No: 115057-50-6 Catalog No: AG000FTS MDL No:
Product Description
Catalog Number:
AG000FTS
Chemical Name:
1H-1,2,3-Triazole-4-carboxamide, 5-chloro-N-phenyl-
CAS Number:
115057-50-6
Molecular Formula:
C9H7ClN4O
Molecular Weight:
222.6311
IUPAC Name:
5-chloro-N-phenyl-2H-triazole-4-carboxamide
InChI:
InChI=1S/C9H7ClN4O/c10-8-7(12-14-13-8)9(15)11-6-4-2-1-3-5-6/h1-5H,(H,11,15)(H,12,13,14)
InChI Key:
JOBNDWNOVZPETI-UHFFFAOYSA-N
SMILES:
O=C(c1nn[nH]c1Cl)Nc1ccccc1
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.632g/mol
Monoisotopic Mass:
222.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.