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78831-76-2 | 2-Propenenitrile, 3-chloro-3-(2-naphthalenyl)-
CAS No: 78831-76-2 Catalog No: AG0055AQ MDL No:
Product Description
Catalog Number:
AG0055AQ
Chemical Name:
2-Propenenitrile, 3-chloro-3-(2-naphthalenyl)-
CAS Number:
78831-76-2
Molecular Formula:
C13H8ClN
Molecular Weight:
213.6623
IUPAC Name:
3-chloro-3-naphthalen-2-ylprop-2-enenitrile
InChI:
InChI=1S/C13H8ClN/c14-13(7-8-15)12-6-5-10-3-1-2-4-11(10)9-12/h1-7,9H
InChI Key:
ACFVJMZVCGIKKT-UHFFFAOYSA-N
SMILES:
N#CC=C(c1ccc2c(c1)cccc2)Cl
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.664g/mol
Monoisotopic Mass:
213.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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