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124379-29-9 | 1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-, (4S)-
CAS No: 124379-29-9 Catalog No: AG000LY0 MDL No:
Product Description
Catalog Number:
AG000LY0
Chemical Name:
1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-, (4S)-
CAS Number:
124379-29-9
Molecular Formula:
C16H12Cl2O
Molecular Weight:
291.1719
IUPAC Name:
(4S)-4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m0/s1
InChI Key:
JGMBHJNMQVKDMW-NSHDSACASA-N
SMILES:
O=C1CC[C@H](c2c1cccc2)c1ccc(c(c1)Cl)Cl
UNII:
3383LZ11NQ
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
290.027g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.171g/mol
Monoisotopic Mass:
290.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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