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1236061-41-8 | Phenol, 4-chloro-2-(1,1-dimethylethyl)-5-nitro-
CAS No: 1236061-41-8 Catalog No: AG000KUL MDL No:MFCD23135341
Product Description
Catalog Number:
AG000KUL
Chemical Name:
Phenol, 4-chloro-2-(1,1-dimethylethyl)-5-nitro-
CAS Number:
1236061-41-8
Molecular Formula:
C10H12ClNO3
Molecular Weight:
229.6602
MDL Number:
MFCD23135341
IUPAC Name:
2-tert-butyl-4-chloro-5-nitrophenol
InChI:
InChI=1S/C10H12ClNO3/c1-10(2,3)6-4-7(11)8(12(14)15)5-9(6)13/h4-5,13H,1-3H3
InChI Key:
JVJXUPCXKPFSRW-UHFFFAOYSA-N
SMILES:
Oc1cc([N+](=O)[O-])c(cc1C(C)(C)C)Cl
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:
3.7
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