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72806-47-4 | 2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime
CAS No: 72806-47-4 Catalog No: AG005EM4 MDL No:
Product Description
Catalog Number:
AG005EM4
Chemical Name:
2-Propenal, 3-chloro-3-(2-naphthalenyl)-, oxime
CAS Number:
72806-47-4
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
N-(3-chloro-3-naphthalen-2-ylprop-2-enylidene)hydroxylamine
InChI:
InChI=1S/C13H10ClNO/c14-13(7-8-15-16)12-6-5-10-3-1-2-4-11(10)9-12/h1-9,16H
InChI Key:
LAFLNYWWDBBRRG-UHFFFAOYSA-N
SMILES:
ON=CC=C(c1ccc2c(c1)cccc2)Cl
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.679g/mol
Monoisotopic Mass:
231.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.7
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