Home Other Building Blocks 1-(CHLOROMETHYL)-4-CYANONAPHTHALENE

1-(CHLOROMETHYL)-4-CYANONAPHTHALENE

CAS No.:
112929-87-0
Catalog Number:
AG01DUZL
Molecular Formula:
C12H8ClN
Molecular Weight:
201.6516
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Product Description
Catalog Number:
AG01DUZL
Chemical Name:
1-(CHLOROMETHYL)-4-CYANONAPHTHALENE
CAS Number:
112929-87-0
Molecular Formula:
C12H8ClN
Molecular Weight:
201.6516
MDL Number:
MFCD18413762
IUPAC Name:
4-(chloromethyl)naphthalene-1-carbonitrile
InChI:
InChI=1S/C12H8ClN/c13-7-9-5-6-10(8-14)12-4-2-1-3-11(9)12/h1-6H,7H2
InChI Key:
VZDJWIIALQYVQU-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c2c1cccc2)C#N
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.653g/mol
Monoisotopic Mass:
201.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties