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178369-96-5

178369-96-5 | Benzenepropanol, 4-chloro-3-(trifluoromethyl)-

CAS No: 178369-96-5 Catalog No: AG0025YP MDL No:

Product Description

Catalog Number:
AG0025YP
Chemical Name:
Benzenepropanol, 4-chloro-3-(trifluoromethyl)-
CAS Number:
178369-96-5
Molecular Formula:
C10H10ClF3O
Molecular Weight:
238.6340
IUPAC Name:
3-[4-chloro-3-(trifluoromethyl)phenyl]propan-1-ol
InChI:
InChI=1S/C10H10ClF3O/c11-9-4-3-7(2-1-5-15)6-8(9)10(12,13)14/h3-4,6,15H,1-2,5H2
InChI Key:
GRCCMHWVGGSIKB-UHFFFAOYSA-N
SMILES:
OCCCc1ccc(c(c1)C(F)(F)F)Cl

Properties

Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.037g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
238.634g/mol
Monoisotopic Mass:
238.037g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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