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72806-44-1 | 2-Propenal, 3-chloro-3-(4-methylphenyl)-, oxime
CAS No: 72806-44-1 Catalog No: AG005EM5 MDL No:
Product Description
Catalog Number:
AG005EM5
Chemical Name:
2-Propenal, 3-chloro-3-(4-methylphenyl)-, oxime
CAS Number:
72806-44-1
Molecular Formula:
C10H10ClNO
Molecular Weight:
195.6455
IUPAC Name:
N-[3-chloro-3-(4-methylphenyl)prop-2-enylidene]hydroxylamine
InChI:
InChI=1S/C10H10ClNO/c1-8-2-4-9(5-3-8)10(11)6-7-12-13/h2-7,13H,1H3
InChI Key:
QJAMAUWHWFLXQT-UHFFFAOYSA-N
SMILES:
ON=CC=C(c1ccc(cc1)C)Cl
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.646g/mol
Monoisotopic Mass:
195.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.9
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