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16260-10-9 | Phenol, 4-dodecyl-2-nitro-
CAS No: 16260-10-9 Catalog No: AG001T9I MDL No:
Product Description
Catalog Number:
AG001T9I
Chemical Name:
Phenol, 4-dodecyl-2-nitro-
CAS Number:
16260-10-9
Molecular Formula:
C18H29NO3
Molecular Weight:
307.4278
IUPAC Name:
4-dodecyl-2-nitrophenol
InChI:
InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-18(20)17(15-16)19(21)22/h13-15,20H,2-12H2,1H3
InChI Key:
JLMIEMZRYZSPFZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCc1ccc(c(c1)[N+](=O)[O-])O
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.215g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.434g/mol
Monoisotopic Mass:
307.215g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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