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400-99-7 | 2-Nitro-4-(trifluoromethyl)phenol
CAS No: 400-99-7 Catalog No: AG003LI8 MDL No:MFCD00009791
Product Description
Catalog Number:
AG003LI8
Chemical Name:
2-Nitro-4-(trifluoromethyl)phenol
CAS Number:
400-99-7
Molecular Formula:
C7H4F3NO3
Molecular Weight:
207.1068
MDL Number:
MFCD00009791
IUPAC Name:
2-nitro-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChI Key:
XZEDEVRSUANQEM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1O)C(F)(F)F
EC Number:
206-927-9
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.014g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.108g/mol
Monoisotopic Mass:
207.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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