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100201-00-1 | Benzene, 2-methoxy-1-(1-methylethoxy)-4-nitro-
CAS No: 100201-00-1 Catalog No: AG00H96P MDL No:MFCD07658179
Product Description
Catalog Number:
AG00H96P
Chemical Name:
Benzene, 2-methoxy-1-(1-methylethoxy)-4-nitro-
CAS Number:
100201-00-1
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD07658179
IUPAC Name:
2-methoxy-4-nitro-1-propan-2-yloxybenzene
InChI:
InChI=1S/C10H13NO4/c1-7(2)15-9-5-4-8(11(12)13)6-10(9)14-3/h4-7H,1-3H3
InChI Key:
RYPKJYFTUYYSFV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC(C)C)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.217g/mol
Monoisotopic Mass:
211.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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