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17710-79-1 | 10H-Phenoxazine-1-carboxylic acid, 8-(trifluoromethyl)-
CAS No: 17710-79-1 Catalog No: AG00254S MDL No:
Product Description
Catalog Number:
AG00254S
Chemical Name:
10H-Phenoxazine-1-carboxylic acid, 8-(trifluoromethyl)-
CAS Number:
17710-79-1
Molecular Formula:
C14H8F3NO3
Molecular Weight:
295.2134
IUPAC Name:
8-(trifluoromethyl)-10H-phenoxazine-1-carboxylic acid
InChI:
InChI=1S/C14H8F3NO3/c15-14(16,17)7-4-5-10-9(6-7)18-12-8(13(19)20)2-1-3-11(12)21-10/h1-6,18H,(H,19,20)
InChI Key:
VIVUMSUYECPLDE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1Nc1cc(ccc1O2)C(F)(F)F
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.046g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.217g/mol
Monoisotopic Mass:
295.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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