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Home > Nitro Compounds > 1443982-12-4
1443982-12-4 | [5-methoxy-4-(2-methylbutoxy)-2-nitrophenyl]methanol
CAS No: 1443982-12-4 Catalog No: AG01A5L3 MDL No:MFCD17028892
Product Description
Catalog Number:
AG01A5L3
Chemical Name:
[5-methoxy-4-(2-methylbutoxy)-2-nitrophenyl]methanol
CAS Number:
1443982-12-4
Molecular Formula:
C13H19NO5
Molecular Weight:
269.2937
MDL Number:
MFCD17028892
IUPAC Name:
[5-methoxy-4-(2-methylbutoxy)-2-nitrophenyl]methanol
InChI:
InChI=1S/C13H19NO5/c1-4-9(2)8-19-13-6-11(14(16)17)10(7-15)5-12(13)18-3/h5-6,9,15H,4,7-8H2,1-3H3
InChI Key:
KYVOORLWFWNIFG-UHFFFAOYSA-N
SMILES:
CCC(COc1cc([N+](=O)[O-])c(cc1OC)CO)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.297g/mol
Monoisotopic Mass:
269.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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