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102770-50-3 | 1-Propanone, 2-chloro-1-(5-chloro-6-methoxy-2-naphthalenyl)-, (S)- (9CI)
CAS No: 102770-50-3 Catalog No: AG0008BJ MDL No:
Product Description
Catalog Number:
AG0008BJ
Chemical Name:
1-Propanone, 2-chloro-1-(5-chloro-6-methoxy-2-naphthalenyl)-, (S)- (9CI)
CAS Number:
102770-50-3
Molecular Formula:
C14H12Cl2O2
Molecular Weight:
283.1499
IUPAC Name:
(2S)-2-chloro-1-(5-chloro-6-methoxynaphthalen-2-yl)propan-1-one
InChI:
InChI=1S/C14H12Cl2O2/c1-8(15)14(17)10-3-5-11-9(7-10)4-6-12(18-2)13(11)16/h3-8H,1-2H3/t8-/m0/s1
InChI Key:
FYOCIAGSGOACAH-QMMMGPOBSA-N
SMILES:
COc1ccc2c(c1Cl)ccc(c2)C(=O)[C@@H](Cl)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.148g/mol
Monoisotopic Mass:
282.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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