Name: Name:Benzenemethanol, 4-methoxy-α-(trifluoromethyl)-
Brand: Angene
SKU: AG001Z5B
Rating: 90 (10 reviews)

Benzenemethanol, 4-methoxy-α-(trifluoromethyl)-

CAS No.:

1737-27-5

Catalog Number:

AG001Z5B

Molecular Formula:

C9H9F3O2

Molecular Weight:

206.1618

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Product Description

Catalog Number:

AG001Z5B

Chemical Name:

Benzenemethanol, 4-methoxy-α-(trifluoromethyl)-

CAS Number:

1737-27-5

Molecular Formula:

C9H9F3O2

Molecular Weight:

206.1618

MDL Number:

MFCD00461900

IUPAC Name:

2,2,2-trifluoro-1-(4-methoxyphenyl)ethanol

InChI:

InChI=1S/C9H9F3O2/c1-14-7-4-2-6(3-5-7)8(13)9(10,11)12/h2-5,8,13H,1H3

InChI Key:

MCAYQVHHKRKRLD-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(C(F)(F)F)O

NSC Number:

55523

Properties

Complexity:

173

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.164g/mol

Monoisotopic Mass:

206.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties