Name: Name:Benzeneethanol, β-amino-4-chloro-3-(trifluoromethyl)-, hydrochloride (1:1), (βS)-
Brand: Angene
SKU: AG0022LM
Rating: 90 (10 reviews)

Benzeneethanol, β-amino-4-chloro-3-(trifluoromethyl)-, hydrochloride (1:1), (βS)-

CAS No.:

1810074-79-3

Catalog Number:

AG0022LM

Molecular Formula:

C9H10Cl2F3NO

Molecular Weight:

276.0830

Catalog Number:

AG0022LM

Chemical Name:

Benzeneethanol, β-amino-4-chloro-3-(trifluoromethyl)-, hydrochloride (1:1), (βS)-

CAS Number:

1810074-79-3

Molecular Formula:

C9H10Cl2F3NO

Molecular Weight:

276.0830

MDL Number:

MFCD12758208

IUPAC Name:

(2S)-2-amino-2-[4-chloro-3-(trifluoromethyl)phenyl]ethanol;hydrochloride

InChI:

InChI=1S/C9H9ClF3NO.ClH/c10-7-2-1-5(8(14)4-15)3-6(7)9(11,12)13;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1

InChI Key:

XPQKDXIKGYSXEY-DDWIOCJRSA-N

SMILES:

OC[C@H](c1ccc(c(c1)C(F)(F)F)Cl)N.Cl

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

276.08g/mol

Monoisotopic Mass:

275.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count: