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124345-10-4 | 1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-2-hydroxy-, (2R,4S)-
CAS No: 124345-10-4 Catalog No: AG000LWR MDL No:MFCD08460151
Product Description
Catalog Number:
AG000LWR
Chemical Name:
1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-dihydro-2-hydroxy-, (2R,4S)-
CAS Number:
124345-10-4
Molecular Formula:
C16H12Cl2O2
Molecular Weight:
307.1713
MDL Number:
MFCD08460151
IUPAC Name:
4-(3,4-dichlorophenyl)-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C16H12Cl2O2/c17-13-6-5-9(7-14(13)18)12-8-15(19)16(20)11-4-2-1-3-10(11)12/h1-7,12,15,19H,8H2
InChI Key:
KVZFTTORFMNPDL-UHFFFAOYSA-N
SMILES:
O[C@@H]1C[C@@H](c2ccc(c(c2)Cl)Cl)c2c(C1=O)cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.021g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.17g/mol
Monoisotopic Mass:
306.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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