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Home > Nitro Compounds > 102652-87-9

102652-87-9

102652-87-9 | Ethanone, 1-(2,4-dimethoxy-3-nitrophenyl)-

CAS No: 102652-87-9 Catalog No: AG00081B MDL No:

Product Description

Catalog Number:
AG00081B
Chemical Name:
Ethanone, 1-(2,4-dimethoxy-3-nitrophenyl)-
CAS Number:
102652-87-9
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
1-(2,4-dimethoxy-3-nitrophenyl)ethanone
InChI:
InChI=1S/C10H11NO5/c1-6(12)7-4-5-8(15-2)9(11(13)14)10(7)16-3/h4-5H,1-3H3
InChI Key:
ZGDIGYSVMZINGW-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1[N+](=O)[O-])OC)C(=O)C

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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