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CHEMHERE CHEM149506

CAS No.:
1242968-57-5
Catalog Number:
AG01DSWY
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
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Product Description
Catalog Number:
AG01DSWY
Chemical Name:
CHEMHERE CHEM149506
CAS Number:
1242968-57-5
Molecular Formula:
C8H7BrN2
Molecular Weight:
211.0586
MDL Number:
MFCD28663389
IUPAC Name:
4-bromo-6-ethylpyridine-2-carbonitrile
InChI:
InChI=1S/C8H7BrN2/c1-2-7-3-6(9)4-8(5-10)11-7/h3-4H,2H2,1H3
InChI Key:
XKYAMWZZIVNHCO-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc(n1)C#N
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.979g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.062g/mol
Monoisotopic Mass:
209.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties