Home Other Building Blocks 5-(CHLOROMETHYL)NICOTINONITRILE

5-(CHLOROMETHYL)NICOTINONITRILE

CAS No.:
562074-59-3
Catalog Number:
AG00DQE7
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
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Product Description
Catalog Number:
AG00DQE7
Chemical Name:
5-(CHLOROMETHYL)NICOTINONITRILE
CAS Number:
562074-59-3
Molecular Formula:
C7H5ClN2
Molecular Weight:
152.5810
MDL Number:
MFCD10697604
IUPAC Name:
5-(chloromethyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C7H5ClN2/c8-2-6-1-7(3-9)5-10-4-6/h1,4-5H,2H2
InChI Key:
XHUTYLPZWIBCIZ-UHFFFAOYSA-N
SMILES:
ClCc1cncc(c1)C#N
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.014g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.581g/mol
Monoisotopic Mass:
152.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties