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Home > Fluorides > 124737-12-8
124737-12-8 | Pentanoic acid, 5,5,5-trifluoro-4-nitro-, methyl ester
CAS No: 124737-12-8 Catalog No: AG000MP6 MDL No:
Product Description
Catalog Number:
AG000MP6
Chemical Name:
Pentanoic acid, 5,5,5-trifluoro-4-nitro-, methyl ester
CAS Number:
124737-12-8
Molecular Formula:
C6H8F3NO4
Molecular Weight:
215.1272
IUPAC Name:
methyl 5,5,5-trifluoro-4-nitropentanoate
InChI:
InChI=1S/C6H8F3NO4/c1-14-5(11)3-2-4(10(12)13)6(7,8)9/h4H,2-3H2,1H3
InChI Key:
PMZIGTAERQZZBQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCC(C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.041g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.128g/mol
Monoisotopic Mass:
215.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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