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Home > Nitro Compounds > 68015-94-1
68015-94-1 | 1-sec-butyl-2-(methoxymethyl)-4-nitrobenzene
CAS No: 68015-94-1 Catalog No: AG00FZKX MDL No:
Product Description
Catalog Number:
AG00FZKX
Chemical Name:
1-sec-butyl-2-(methoxymethyl)-4-nitrobenzene
CAS Number:
68015-94-1
IUPAC Name:
1-butan-2-yl-2-(methoxymethyl)-4-nitrobenzene
InChI:
InChI=1S/C12H17NO3/c1-4-9(2)12-6-5-11(13(14)15)7-10(12)8-16-3/h5-7,9H,4,8H2,1-3H3
InChI Key:
CKYQQSJXQJDXNK-UHFFFAOYSA-N
EC Number:
268-160-6
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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