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374633-37-1 | 2-bromo-5-cyano-3-picoline
CAS No: 374633-37-1 Catalog No: AG0035V5 MDL No:MFCD03095063
Product Description
Catalog Number:
AG0035V5
Chemical Name:
2-bromo-5-cyano-3-picoline
CAS Number:
374633-37-1
Molecular Formula:
C7H5BrN2
Molecular Weight:
197.0320
MDL Number:
MFCD03095063
IUPAC Name:
6-bromo-5-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C7H5BrN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,1H3
InChI Key:
JECOSEMUVCECAL-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(c(c1)C)Br
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.964g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.035g/mol
Monoisotopic Mass:
195.964g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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