Home Nitriles 2-Chloro-5-phenyl-1H-pyrrole-3-carbonitrile

2-Chloro-5-phenyl-1H-pyrrole-3-carbonitrile

CAS No.:
158692-52-5
Catalog Number:
AG00HYI1
Molecular Formula:
C11H7ClN2
Molecular Weight:
202.6397
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$133
- +
250mg
95%
In Stock USA
United States
$221
- +
1g
95%
In Stock USA
United States
$441
- +
Product Description
Catalog Number:
AG00HYI1
Chemical Name:
2-Chloro-5-phenyl-1H-pyrrole-3-carbonitrile
CAS Number:
158692-52-5
Molecular Formula:
C11H7ClN2
Molecular Weight:
202.6397
MDL Number:
MFCD24562363
IUPAC Name:
2-chloro-5-phenyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H7ClN2/c12-11-9(7-13)6-10(14-11)8-4-2-1-3-5-8/h1-6,14H
InChI Key:
MMEMWGQBJAUGHN-UHFFFAOYSA-N
SMILES:
N#Cc1cc([nH]c1Cl)c1ccccc1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.641g/mol
Monoisotopic Mass:
202.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties