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7512-47-2 | (4e)-2-chloro-4-{[4-(dimethylamino)phenyl]imino}cyclohexa-2,5-dien-1-one
CAS No: 7512-47-2 Catalog No: AG0056KZ MDL No:
Product Description
Catalog Number:
AG0056KZ
Chemical Name:
(4e)-2-chloro-4-{[4-(dimethylamino)phenyl]imino}cyclohexa-2,5-dien-1-one
CAS Number:
7512-47-2
Molecular Formula:
C14H13ClN2O
Molecular Weight:
260.7188
IUPAC Name:
2-chloro-4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
InChI:
InChI=1S/C14H13ClN2O/c1-17(2)12-6-3-10(4-7-12)16-11-5-8-14(18)13(15)9-11/h3-9H,1-2H3
InChI Key:
GFALCKJLTJCETA-UHFFFAOYSA-N
SMILES:
O=C1C=C/C(=N\c2ccc(cc2)N(C)C)/C=C1Cl
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.721g/mol
Monoisotopic Mass:
260.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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