Home Halogens 2-Benzyl-5-chloro-2,4-dihydro-3h-1,2,4-triazol-3-one

2-Benzyl-5-chloro-2,4-dihydro-3h-1,2,4-triazol-3-one

CAS No.:
22354-89-8
Catalog Number:
AG00C20V
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00C20V
Chemical Name:
2-Benzyl-5-chloro-2,4-dihydro-3h-1,2,4-triazol-3-one
CAS Number:
22354-89-8
Molecular Formula:
C9H8ClN3O
Molecular Weight:
209.6323
MDL Number:
MFCD16556128
IUPAC Name:
2-benzyl-5-chloro-4H-1,2,4-triazol-3-one
InChI:
InChI=1S/C9H8ClN3O/c10-8-11-9(14)13(12-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12,14)
InChI Key:
UQCQVOVQFREQBC-UHFFFAOYSA-N
SMILES:
Clc1[nH]c(=O)n(n1)Cc1ccccc1
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.633g/mol
Monoisotopic Mass:
209.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties