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Home > Nitro Compounds > 31236-71-2
31236-71-2 | Benzene, 1-methoxy-4-(2-nitroethyl)-
CAS No: 31236-71-2 Catalog No: AG01DPTK MDL No:MFCD03410707
Product Description
Catalog Number:
AG01DPTK
Chemical Name:
Benzene, 1-methoxy-4-(2-nitroethyl)-
CAS Number:
31236-71-2
MDL Number:
MFCD03410707
IUPAC Name:
1-methoxy-4-(2-nitroethyl)benzene
InChI:
InChI=1S/C9H11NO3/c1-13-9-4-2-8(3-5-9)6-7-10(11)12/h2-5H,6-7H2,1H3
InChI Key:
OKXIIWYHEHONRQ-UHFFFAOYSA-N
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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