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16869-24-2 | Acetic acid, 2-bromo-, (4-nitrophenyl)methyl ester
CAS No: 16869-24-2 Catalog No: AG001Y87 MDL No:
Product Description
Catalog Number:
AG001Y87
Chemical Name:
Acetic acid, 2-bromo-, (4-nitrophenyl)methyl ester
CAS Number:
16869-24-2
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
IUPAC Name:
(4-nitrophenyl)methyl 2-bromoacetate
InChI:
InChI=1S/C9H8BrNO4/c10-5-9(12)15-6-7-1-3-8(4-2-7)11(13)14/h1-4H,5-6H2
InChI Key:
ADHFTAKIDKDGBV-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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