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Structure

Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-

CAS
96789-80-9
Catalog Number
ACM96789809
Category
Other Products
Molecular Weight
190.16
Molecular Formula
C9H9 F3 O

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Specification

Synonyms
S-MTF-PEL;(S)-1-[3-(TRIFLUOROMETHYL)PHENYL]ETHANOL
IUPAC Name
(1S)-1-[3-(trifluoromethyl)phenyl]ethanol
InChI Key
YNVXCOKNHXMBQC-LURJTMIESA-N
Boiling Point
206.9ºC at 760mmHg
Flash Point
96.1ºC
Density
1.234g/cm³
Exact Mass
190.06100
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

The molecular formula is C9H9F3O.

What is the PubChem CID of Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

The PubChem CID is 7004853.

What is the IUPAC Name of Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

The IUPAC Name is (1S)-1-[3-(trifluoromethyl)phenyl]ethanol.

What is the InChI of Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

The InChI is InChI=1S/C9H9F3O/c1-6(13)7-3-2-4-8(5-7)9(10,11)12/h2-6,13H,1H3/t6-/m0/s1.

What is the InChIKey of Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

The InChIKey is YNVXCOKNHXMBQC-LURJTMIESA-N.

What is the Canonical SMILES of Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

The Canonical SMILES is CC(C1=CC(=CC=C1)C(F)(F)F)O.

What is the molecular weight of Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

The molecular weight is 190.16 g/mol.

How many hydrogen bond donor counts are there in Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

There are 4 hydrogen bond acceptor counts.

How many rotatable bond counts are there in Benzenemethanol, a-methyl-3-(trifluoromethyl)-, (aS)-?

There is 1 rotatable bond count.

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