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15862-94-9 | Benzene, 1-(chloromethyl)-4,5-dimethoxy-2-nitro-
CAS No: 15862-94-9 Catalog No: AG001QE4 MDL No:
Product Description
Catalog Number:
AG001QE4
Chemical Name:
Benzene, 1-(chloromethyl)-4,5-dimethoxy-2-nitro-
CAS Number:
15862-94-9
Molecular Formula:
C9H10ClNO4
Molecular Weight:
231.6330
IUPAC Name:
1-(chloromethyl)-4,5-dimethoxy-2-nitrobenzene
InChI:
InChI=1S/C9H10ClNO4/c1-14-8-3-6(5-10)7(11(12)13)4-9(8)15-2/h3-4H,5H2,1-2H3
InChI Key:
VRHNUGLFVZJARZ-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OC)CCl
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.632g/mol
Monoisotopic Mass:
231.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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