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1134915-25-5

1134915-25-5 | Benzeneacetic acid, α-amino-3-(trifluoromethyl)-, hydrochloride (1:1)

CAS No: 1134915-25-5 Catalog No: AG0008QN MDL No:MFCD07371458

Product Description

Catalog Number:
AG0008QN
Chemical Name:
Benzeneacetic acid, α-amino-3-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1134915-25-5
Molecular Formula:
C9H9ClF3NO2
Molecular Weight:
255.6215
MDL Number:
MFCD07371458
IUPAC Name:
2-amino-2-[3-(trifluoromethyl)phenyl]acetic acid;hydrochloride
InChI:
InChI=1S/C9H8F3NO2.ClH/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15;/h1-4,7H,13H2,(H,14,15);1H
InChI Key:
SECHOAVQAILTSH-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)C(F)(F)F)N.Cl

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.027g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
255.621g/mol
Monoisotopic Mass:
255.027g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

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