sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 5-Amino-4-cyano-1-(2-chlorophenyl)-3-methylpyrazole

5-Amino-4-cyano-1-(2-chlorophenyl)-3-methylpyrazole

CAS No.:
107856-31-5
Catalog Number:
AG00848D
Molecular Formula:
C11H9ClN4
Molecular Weight:
232.6690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$250
- +
5g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00848D
Chemical Name:
5-Amino-4-cyano-1-(2-chlorophenyl)-3-methylpyrazole
CAS Number:
107856-31-5
Molecular Formula:
C11H9ClN4
Molecular Weight:
232.6690
MDL Number:
MFCD10699686
IUPAC Name:
5-amino-1-(2-chlorophenyl)-3-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C11H9ClN4/c1-7-8(6-13)11(14)16(15-7)10-5-3-2-4-9(10)12/h2-5H,14H2,1H3
InChI Key:
KALBLBGKEQSQEE-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)nn(c1N)c1ccccc1Cl
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.052g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.671g/mol
Monoisotopic Mass:
232.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties