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Home > Nitro Compounds > 816463-36-2
816463-36-2 | 4-((3-methyloxetan-3-yl)methoxy)-2-nitroaniline
CAS No: 816463-36-2 Catalog No: AG00GAGK MDL No:MFCD28502385
Product Description
Catalog Number:
AG00GAGK
Chemical Name:
4-((3-methyloxetan-3-yl)methoxy)-2-nitroaniline
CAS Number:
816463-36-2
Molecular Formula:
C11H14N2O4
Molecular Weight:
238.2399
MDL Number:
MFCD28502385
IUPAC Name:
4-[(3-methyloxetan-3-yl)methoxy]-2-nitroaniline
InChI:
InChI=1S/C11H14N2O4/c1-11(5-16-6-11)7-17-8-2-3-9(12)10(4-8)13(14)15/h2-4H,5-7,12H2,1H3
InChI Key:
XQYDJANMTIYABZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(OCC2(C)COC2)ccc1N
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.243g/mol
Monoisotopic Mass:
238.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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