Home Nitriles 5-BroMo-1H-pyrrole-2-carbonitrile

5-BroMo-1H-pyrrole-2-carbonitrile

CAS No.:
36953-44-3
Catalog Number:
AG00CMRK
Molecular Formula:
C5H3BrN2
Molecular Weight:
170.9947
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Product Description
Catalog Number:
AG00CMRK
Chemical Name:
5-BroMo-1H-pyrrole-2-carbonitrile
CAS Number:
36953-44-3
Molecular Formula:
C5H3BrN2
Molecular Weight:
170.9947
MDL Number:
MFCD23135667
IUPAC Name:
5-bromo-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C5H3BrN2/c6-5-2-1-4(3-7)8-5/h1-2,8H
InChI Key:
ICKKJIMPEICFGO-UHFFFAOYSA-N
SMILES:
Brc1ccc([nH]1)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:
169.948g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.997g/mol
Monoisotopic Mass:
169.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties