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Home > Fluorides > 1214325-74-2
1214325-74-2 | Benzoic acid, 2-nitro-5-(trifluoromethyl)-, ethyl ester
CAS No: 1214325-74-2 Catalog No: AG0014RW MDL No:
Product Description
Catalog Number:
AG0014RW
Chemical Name:
Benzoic acid, 2-nitro-5-(trifluoromethyl)-, ethyl ester
CAS Number:
1214325-74-2
Molecular Formula:
C10H8F3NO4
Molecular Weight:
263.1700
IUPAC Name:
ethyl 2-nitro-5-(trifluoromethyl)benzoate
InChI:
InChI=1S/C10H8F3NO4/c1-2-18-9(15)7-5-6(10(11,12)13)3-4-8(7)14(16)17/h3-5H,2H2,1H3
InChI Key:
VQSROORDNKRQRJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(ccc1[N+](=O)[O-])C(F)(F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.172g/mol
Monoisotopic Mass:
263.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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