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1260795-52-5 | Benzeneacetic acid, 4-amino-5-chloro-2-(trifluoromethyl)-
CAS No: 1260795-52-5 Catalog No: AG000RAR MDL No:
Product Description
Catalog Number:
AG000RAR
Chemical Name:
Benzeneacetic acid, 4-amino-5-chloro-2-(trifluoromethyl)-
CAS Number:
1260795-52-5
Molecular Formula:
C9H7ClF3NO2
Molecular Weight:
253.6056
IUPAC Name:
2-[4-amino-5-chloro-2-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C9H7ClF3NO2/c10-6-1-4(2-8(15)16)5(3-7(6)14)9(11,12)13/h1,3H,2,14H2,(H,15,16)
InChI Key:
TXMYMXNMGLLUMS-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(Cl)c(cc1C(F)(F)F)N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.012g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.605g/mol
Monoisotopic Mass:
253.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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