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105363-13-1 | 2,5-DIMETHOXY- alpha - CHLOROBENZALDOXIME
CAS No: 105363-13-1 Catalog No: AG01FBGJ MDL No:
Product Description
Catalog Number:
AG01FBGJ
Chemical Name:
2,5-DIMETHOXY- alpha - CHLOROBENZALDOXIME
CAS Number:
105363-13-1
Molecular Formula:
C9H12ClNO3
Molecular Weight:
217.6495
IUPAC Name:
(NE)-N-[(6-chloro-3,6-dimethoxycyclohexa-2,4-dien-1-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H12ClNO3/c1-13-8-3-4-9(10,14-2)7(5-8)6-11-12/h3-7,12H,1-2H3/b11-6+
InChI Key:
PTRFXBFONBCLFF-IZZDOVSWSA-N
SMILES:
ON=CC1C=C(OC)C=CC1(Cl)OC
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
217.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.649g/mol
Monoisotopic Mass:
217.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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