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3-[2-chloro-4-(trifluoromethyl)phenyl]propan-1-ol

3-[2-chloro-4-(trifluoromethyl)phenyl]propan-1-ol

CAS: 1093173-35-3

Formula: C10H10ClF3O

SMILES: OCCCC1=C(Cl)C=C(C=C1)C(F)(F)F

IUPAC: 3-[2-chloro-4-(trifluoromethyl)phenyl]propan-1-ol

InChI: InChI=1S/C10H10ClF3O/c11-9-6-8(10(12,13)14)4-3-7(9)2-1-5-15/h3-4,6,15H,1-2,5H2

Composition: C (50.33%), H (4.22%), Cl (14.86%), F (23.88%), O (6.70%)

Molar Mass: 238.63

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.0372271
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey PZVSYCAEEBEFFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.01
Topological Polar Surface Area 20.23
Polarizability 19.5
Ring Count 1
Rotatable Bond Count 4

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