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Home Nitriles 4-Bromo-1,2,5-trimethyl-1h-pyrrole-3-carbonitrile

4-Bromo-1,2,5-trimethyl-1h-pyrrole-3-carbonitrile

CAS No.:
1393728-46-5
Catalog Number:
AG00J2QM
Molecular Formula:
C8H9BrN2
Molecular Weight:
213.0745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$129
- +
5g
95%
In Stock USA
United States
$316
- +
Product Description
Catalog Number:
AG00J2QM
Chemical Name:
4-Bromo-1,2,5-trimethyl-1h-pyrrole-3-carbonitrile
CAS Number:
1393728-46-5
Molecular Formula:
C8H9BrN2
Molecular Weight:
213.0745
MDL Number:
MFCD22548407
IUPAC Name:
4-bromo-1,2,5-trimethylpyrrole-3-carbonitrile
InChI:
InChI=1S/C8H9BrN2/c1-5-7(4-10)8(9)6(2)11(5)3/h1-3H3
InChI Key:
ZGTFAXKHYWAEED-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)n(c(c1Br)C)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.995g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.078g/mol
Monoisotopic Mass:
211.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties