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113851-86-8 | Acetic acid, 2-bromo-2-fluoro-2-nitro-, propyl ester
CAS No: 113851-86-8 Catalog No: AG0009WO MDL No:
Product Description
Catalog Number:
AG0009WO
Chemical Name:
Acetic acid, 2-bromo-2-fluoro-2-nitro-, propyl ester
CAS Number:
113851-86-8
Molecular Formula:
C5H7BrFNO4
Molecular Weight:
244.0158
IUPAC Name:
propyl 2-bromo-2-fluoro-2-nitroacetate
InChI:
InChI=1S/C5H7BrFNO4/c1-2-3-12-4(9)5(6,7)8(10)11/h2-3H2,1H3
InChI Key:
CIKUDDYRYXOQSD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(=O)OCCC)(Br)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.016g/mol
Monoisotopic Mass:
242.954g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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