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784-77-0 | 3-Nitro-4-(trifluoromethoxy)benzoic acid
CAS No: 784-77-0 Catalog No: AG003JSM MDL No:MFCD13185757
Product Description
Catalog Number:
AG003JSM
Chemical Name:
3-Nitro-4-(trifluoromethoxy)benzoic acid
CAS Number:
784-77-0
Molecular Formula:
C8H4F3NO5
Molecular Weight:
251.1163
MDL Number:
MFCD13185757
IUPAC Name:
3-nitro-4-(trifluoromethoxy)benzoic acid
InChI:
InChI=1S/C8H4F3NO5/c9-8(10,11)17-6-2-1-4(7(13)14)3-5(6)12(15)16/h1-3H,(H,13,14)
InChI Key:
GDBCQTKUSLDFRP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1OC(F)(F)F)C(=O)O
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.117g/mol
Monoisotopic Mass:
251.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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