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209001-29-6 | Phenol, 2-amino-3-bromo-5-(trifluoromethyl)-
CAS No: 209001-29-6 Catalog No: AG002K0H MDL No:
Product Description
Catalog Number:
AG002K0H
Chemical Name:
Phenol, 2-amino-3-bromo-5-(trifluoromethyl)-
CAS Number:
209001-29-6
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
IUPAC Name:
2-amino-3-bromo-5-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H5BrF3NO/c8-4-1-3(7(9,10)11)2-5(13)6(4)12/h1-2,13H,12H2
InChI Key:
AMVIAFUHAWPKLQ-UHFFFAOYSA-N
SMILES:
Oc1cc(cc(c1N)Br)C(F)(F)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.951g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.022g/mol
Monoisotopic Mass:
254.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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