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1221435-18-2 | 1H-Pyrrole-2-carbonitrile, 4-bromo-
CAS No: 1221435-18-2 Catalog No: AG0016TR MDL No:MFCD20502410
Product Description
Catalog Number:
AG0016TR
Chemical Name:
1H-Pyrrole-2-carbonitrile, 4-bromo-
CAS Number:
1221435-18-2
Molecular Formula:
C5H3BrN2
Molecular Weight:
170.9947
MDL Number:
MFCD20502410
IUPAC Name:
4-bromo-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C5H3BrN2/c6-4-1-5(2-7)8-3-4/h1,3,8H
InChI Key:
MDGARDUARHMMAR-UHFFFAOYSA-N
SMILES:
Brc1cc([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:
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:
1.5
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