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Home Nitros Acetic acid 4-nitrobenzyl ester

Acetic acid 4-nitrobenzyl ester

CAS No.:
619-90-9
Catalog Number:
AG003NMP
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$107
- +
25g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003NMP
Chemical Name:
Acetic acid 4-nitrobenzyl ester
CAS Number:
619-90-9
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD00024781
IUPAC Name:
(4-nitrophenyl)methyl acetate
InChI:
InChI=1S/C9H9NO4/c1-7(11)14-6-8-2-4-9(5-3-8)10(12)13/h2-5H,6H2,1H3
InChI Key:
QNXQLPUEZYZYFC-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1ccc(cc1)[N+](=O)[O-]
EC Number:
210-618-4
NSC Number:
403575
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and antimycobacterial activity of pyrazine and quinoxaline derivatives. Journal of medicinal chemistry 20021205
Properties