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945557-04-0 | 5-Bromo-3-chloropicolinonitrile
CAS No: 945557-04-0 Catalog No: AG003MI7 MDL No:MFCD12827550
Product Description
Catalog Number:
AG003MI7
Chemical Name:
5-Bromo-3-chloropicolinonitrile
CAS Number:
945557-04-0
Molecular Formula:
C6H2BrClN2
Molecular Weight:
217.4505
MDL Number:
MFCD12827550
IUPAC Name:
5-bromo-3-chloropyridine-2-carbonitrile
InChI:
InChI=1S/C6H2BrClN2/c7-4-1-5(8)6(2-9)10-3-4/h1,3H
InChI Key:
SIYPZKHSXDFDRA-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(cc1Cl)Br
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.909g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.45g/mol
Monoisotopic Mass:
215.909g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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