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88043-31-6 | Propanoic acid, 3-bromo-, 2,4-dinitrophenyl ester
CAS No: 88043-31-6 Catalog No: AG004MO3 MDL No:
Product Description
Catalog Number:
AG004MO3
Chemical Name:
Propanoic acid, 3-bromo-, 2,4-dinitrophenyl ester
CAS Number:
88043-31-6
Molecular Formula:
C9H7BrN2O6
Molecular Weight:
319.0657
IUPAC Name:
(2,4-dinitrophenyl) 3-bromopropanoate
InChI:
InChI=1S/C9H7BrN2O6/c10-4-3-9(13)18-8-2-1-6(11(14)15)5-7(8)12(16)17/h1-2,5H,3-4H2
InChI Key:
LDLTWBDNXMLWFZ-UHFFFAOYSA-N
SMILES:
BrCCC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.949g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.067g/mol
Monoisotopic Mass:
317.949g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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