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777-84-4 | Acetic acid, 2-chloro-,4-nitrophenyl ester
CAS No: 777-84-4 Catalog No: AG005F8H MDL No:MFCD00024662
Product Description
Catalog Number:
AG005F8H
Chemical Name:
Acetic acid, 2-chloro-,4-nitrophenyl ester
CAS Number:
777-84-4
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD00024662
IUPAC Name:
(4-nitrophenyl) 2-chloroacetate
InChI:
InChI=1S/C8H6ClNO4/c9-5-8(11)14-7-3-1-6(2-4-7)10(12)13/h1-4H,5H2
InChI Key:
DYFFUJNIXCDLOR-UHFFFAOYSA-N
SMILES:
ClCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
NSC Number:
8274
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| New chromogenic substrates for feruloyl esterases. | Organic & biomolecular chemistry 20080407 |
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