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35590-37-5 | 5-Bromonicotinonitrile
CAS No: 35590-37-5 Catalog No: AG00348E MDL No:MFCD00174363
Product Description
Catalog Number:
AG00348E
Chemical Name:
5-Bromonicotinonitrile
CAS Number:
35590-37-5
Molecular Formula:
C6H3BrN2
Molecular Weight:
183.0054
MDL Number:
MFCD00174363
IUPAC Name:
5-bromopyridine-3-carbonitrile
InChI:
InChI=1S/C6H3BrN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
InChI Key:
FTFFHWWIPOQCBC-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1)C#N
Properties
Complexity:
137
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.948g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.008g/mol
Monoisotopic Mass:
181.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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