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Home > Fluorides > 138307-48-9
138307-48-9 | Heptane, 1,7-difluoro-4-(3-fluoropropyl)-4-nitro-
CAS No: 138307-48-9 Catalog No: AG0018HJ MDL No:
Product Description
Catalog Number:
AG0018HJ
Chemical Name:
Heptane, 1,7-difluoro-4-(3-fluoropropyl)-4-nitro-
CAS Number:
138307-48-9
Molecular Formula:
C10H18F3NO2
Molecular Weight:
241.2506
IUPAC Name:
1,7-difluoro-4-(3-fluoropropyl)-4-nitroheptane
InChI:
InChI=1S/C10H18F3NO2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-9H2
InChI Key:
RQQMNDDIGBTBAK-UHFFFAOYSA-N
SMILES:
FCCCC([N+](=O)[O-])(CCCF)CCCF
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.129g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.254g/mol
Monoisotopic Mass:
241.129g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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