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1233501-44-4 | Benzenemethanol, 3,4-dichloro-α-(2-chloroethyl)-, (αR)-
CAS No: 1233501-44-4 Catalog No: AG000KEP MDL No:
Product Description
Catalog Number:
AG000KEP
Chemical Name:
Benzenemethanol, 3,4-dichloro-α-(2-chloroethyl)-, (αR)-
CAS Number:
1233501-44-4
Molecular Formula:
C9H9Cl3O
Molecular Weight:
239.5262
IUPAC Name:
(1R)-3-chloro-1-(3,4-dichlorophenyl)propan-1-ol
InChI:
InChI=1S/C9H9Cl3O/c10-4-3-9(13)6-1-2-7(11)8(12)5-6/h1-2,5,9,13H,3-4H2/t9-/m1/s1
InChI Key:
MFBGPPIDBLVWIT-SECBINFHSA-N
SMILES:
ClCC[C@H](c1ccc(c(c1)Cl)Cl)O
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
237.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.52g/mol
Monoisotopic Mass:
237.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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