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88725-96-6 | Heptanenitrile, 3-chloro-
CAS No: 88725-96-6 Catalog No: AG00453C MDL No:
Product Description
Catalog Number:
AG00453C
Chemical Name:
Heptanenitrile, 3-chloro-
CAS Number:
88725-96-6
Molecular Formula:
C7H12ClN
Molecular Weight:
145.6299
IUPAC Name:
3-chloroheptanenitrile
InChI:
InChI=1S/C7H12ClN/c1-2-3-4-7(8)5-6-9/h7H,2-5H2,1H3
InChI Key:
GAIVDIRMCFBHQF-UHFFFAOYSA-N
SMILES:
CCCCC(CC#N)Cl
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.066g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.63g/mol
Monoisotopic Mass:
145.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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