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HE-CHEMICAL 0347151

CAS No.:
1805552-43-5
Catalog Number:
AG01DYZI
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
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Product Description
Catalog Number:
AG01DYZI
Chemical Name:
HE-CHEMICAL 0347151
CAS Number:
1805552-43-5
Molecular Formula:
C7H5BrF3NO
Molecular Weight:
256.0199
MDL Number:
MFCD28741409
IUPAC Name:
2-amino-4-bromo-6-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H5BrF3NO/c8-3-1-4(7(9,10)11)6(13)5(12)2-3/h1-2,13H,12H2
InChI Key:
PUCHONQUBSIGND-UHFFFAOYSA-N
SMILES:
Brc1cc(N)c(c(c1)C(F)(F)F)O
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  
Properties