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14593-28-3 | Phenol, 2-chloro-4-(1,1-dimethylethyl)-6-nitro-
CAS No: 14593-28-3 Catalog No: AG001DIS MDL No:
Product Description
Catalog Number:
AG001DIS
Chemical Name:
Phenol, 2-chloro-4-(1,1-dimethylethyl)-6-nitro-
CAS Number:
14593-28-3
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
IUPAC Name:
4-tert-butyl-2-chloro-6-nitrophenol
InChI:
InChI=1S/C10H12ClNO3/c1-10(2,3)6-4-7(11)9(13)8(5-6)12(14)15/h4-5,13H,1-3H3
InChI Key:
ANIIEJHRMKMVOR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)Cl)C(C)(C)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.66g/mol
Monoisotopic Mass:
229.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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