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1190198-33-4 | Benzeneacetic acid, 5-methoxy-2-nitro-4-(trifluoromethyl)-
CAS No: 1190198-33-4 Catalog No: AG000P2C MDL No:MFCD12922677
Product Description
Catalog Number:
AG000P2C
Chemical Name:
Benzeneacetic acid, 5-methoxy-2-nitro-4-(trifluoromethyl)-
CAS Number:
1190198-33-4
Molecular Formula:
C10H8F3NO5
Molecular Weight:
279.1694
MDL Number:
MFCD12922677
IUPAC Name:
2-[5-methoxy-2-nitro-4-(trifluoromethyl)phenyl]acetic acid
InChI:
InChI=1S/C10H8F3NO5/c1-19-8-2-5(3-9(15)16)7(14(17)18)4-6(8)10(11,12)13/h2,4H,3H2,1H3,(H,15,16)
InChI Key:
GGDGHKVAGZZOSH-UHFFFAOYSA-N
SMILES:
COc1cc(CC(=O)O)c(cc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.035g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.171g/mol
Monoisotopic Mass:
279.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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