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Home > Nitro Compounds > 30397-00-3
30397-00-3 | Phenol, 2-nitro-4-sec-pentyl- (7CI,8CI,9CI)
CAS No: 30397-00-3 Catalog No: AG002ZZF MDL No:
Product Description
Catalog Number:
AG002ZZF
Chemical Name:
Phenol, 2-nitro-4-sec-pentyl- (7CI,8CI,9CI)
CAS Number:
30397-00-3
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
2-nitro-4-pentan-2-ylphenol
InChI:
InChI=1S/C11H15NO3/c1-3-4-8(2)9-5-6-11(13)10(7-9)12(14)15/h5-8,13H,3-4H2,1-2H3
InChI Key:
BUIJJQHOWLTFQA-UHFFFAOYSA-N
SMILES:
CCCC(c1ccc(c(c1)[N+](=O)[O-])O)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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