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13295-81-3 | Propanoic acid, 3-chloro-, (5-nitro-2-furanyl)methyl ester
CAS No: 13295-81-3 Catalog No: AG0011GD MDL No:
Product Description
Catalog Number:
AG0011GD
Chemical Name:
Propanoic acid, 3-chloro-, (5-nitro-2-furanyl)methyl ester
CAS Number:
13295-81-3
Molecular Formula:
C8H8ClNO5
Molecular Weight:
233.6058
IUPAC Name:
(5-nitrofuran-2-yl)methyl 3-chloropropanoate
InChI:
InChI=1S/C8H8ClNO5/c9-4-3-8(11)14-5-6-1-2-7(15-6)10(12)13/h1-2H,3-5H2
InChI Key:
WOHKMXWHZYDNNR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)COC(=O)CCCl
NSC Number:
4099
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.009g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.604g/mol
Monoisotopic Mass:
233.009g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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