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19199-82-7 | 4-Nitrophenyl 2-bromoacetate
CAS No: 19199-82-7 Catalog No: AG003LVW MDL No:MFCD00051840
Product Description
Catalog Number:
AG003LVW
Chemical Name:
4-Nitrophenyl 2-bromoacetate
CAS Number:
19199-82-7
Molecular Formula:
C8H6BrNO4
Molecular Weight:
260.0415
MDL Number:
MFCD00051840
IUPAC Name:
(4-nitrophenyl) 2-bromoacetate
InChI:
InChI=1S/C8H6BrNO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2
InChI Key:
HVNXGOPARVAZNX-UHFFFAOYSA-N
SMILES:
BrCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
919-989-3
UNII:
1WE7149NTC
NSC Number:
341921
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.043g/mol
Monoisotopic Mass:
258.948g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Kinetic studies and predictions on the hydrolysis and aminolysis of esters of 2-S-phosphorylacetates. | Beilstein journal of organic chemistry 20100101 |
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