Home Halogens 3-bromo-1-methyl-1H-pyrrole-2-carbonitrile

3-bromo-1-methyl-1H-pyrrole-2-carbonitrile

CAS No.:
1823870-54-7
Catalog Number:
AG01EL4E
Molecular Formula:
C6H5BrN2
Molecular Weight:
185.0213
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Product Description
Catalog Number:
AG01EL4E
Chemical Name:
3-bromo-1-methyl-1H-pyrrole-2-carbonitrile
CAS Number:
1823870-54-7
Molecular Formula:
C6H5BrN2
Molecular Weight:
185.0213
MDL Number:
MFCD27996617
IUPAC Name:
3-bromo-1-methylpyrrole-2-carbonitrile
InChI:
InChI=1S/C6H5BrN2/c1-9-3-2-5(7)6(9)4-8/h2-3H,1H3
InChI Key:
OQBXBVPNICHTOS-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)ccn1C
Properties
Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.964g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.024g/mol
Monoisotopic Mass:
183.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties