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Home > Nitro Compounds > 548798-22-7
548798-22-7 | Benzene, 2-(dimethoxymethyl)-4-methoxy-1-nitro-
CAS No: 548798-22-7 Catalog No: AG00I9SU MDL No:MFCD05148760
Product Description
Catalog Number:
AG00I9SU
Chemical Name:
Benzene, 2-(dimethoxymethyl)-4-methoxy-1-nitro-
CAS Number:
548798-22-7
Molecular Formula:
C10H13NO5
Molecular Weight:
227.2139
MDL Number:
MFCD05148760
IUPAC Name:
2-(dimethoxymethyl)-4-methoxy-1-nitrobenzene
InChI:
InChI=1S/C10H13NO5/c1-14-7-4-5-9(11(12)13)8(6-7)10(15-2)16-3/h4-6,10H,1-3H3
InChI Key:
AYVQBIUVXUJHJS-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(OC)OC)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.216g/mol
Monoisotopic Mass:
227.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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