Home Nitriles 4-Chloro-1h-pyrrole-2-carbonitrile

4-Chloro-1h-pyrrole-2-carbonitrile

CAS No.:
57097-45-7
Catalog Number:
AG00F0P5
Molecular Formula:
C5H3ClN2
Molecular Weight:
126.5437
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$149
- +
250mg
97%
1 week
United States
$224
- +
1g
97%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG00F0P5
Chemical Name:
4-Chloro-1h-pyrrole-2-carbonitrile
CAS Number:
57097-45-7
Molecular Formula:
C5H3ClN2
Molecular Weight:
126.5437
MDL Number:
MFCD12923750
IUPAC Name:
4-chloro-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C5H3ClN2/c6-4-1-5(2-7)8-3-4/h1,3,8H
InChI Key:
DUZOBCCYLYWQGV-UHFFFAOYSA-N
SMILES:
Clc1cc([nH]c1)C#N
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.998g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.543g/mol
Monoisotopic Mass:
125.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties