Home Nitros 4-methoxy-3-nitrophenyl acetate

4-methoxy-3-nitrophenyl acetate

CAS No.:
39653-87-7
Catalog Number:
AG01B14R
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
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Product Description
Catalog Number:
AG01B14R
Chemical Name:
4-methoxy-3-nitrophenyl acetate
CAS Number:
39653-87-7
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
MDL Number:
MFCD18078612
IUPAC Name:
(4-methoxy-3-nitrophenyl) acetate
InChI:
InChI=1S/C9H9NO5/c1-6(11)15-7-3-4-9(14-2)8(5-7)10(12)13/h3-5H,1-2H3
InChI Key:
XUZGGGXQVSZPDD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])OC(=O)C
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties