Home Nitriles 4-Bromo-2,5-dimethyl-1H-pyrrole-3-carbonitrile

4-Bromo-2,5-dimethyl-1H-pyrrole-3-carbonitrile

CAS No.:
562074-42-4
Catalog Number:
AG00J2R2
Molecular Formula:
C7H7BrN2
Molecular Weight:
199.0479
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00J2R2
Chemical Name:
4-Bromo-2,5-dimethyl-1H-pyrrole-3-carbonitrile
CAS Number:
562074-42-4
Molecular Formula:
C7H7BrN2
Molecular Weight:
199.0479
MDL Number:
MFCD21336982
IUPAC Name:
4-bromo-2,5-dimethyl-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C7H7BrN2/c1-4-6(3-9)7(8)5(2)10-4/h10H,1-2H3
InChI Key:
YSAMLRMSYXSUHU-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)[nH]c(c1Br)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.979g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.051g/mol
Monoisotopic Mass:
197.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties