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88954-08-9 | 1,3-Benzenediol, 5-chloro-2-(1,1-dimethylethyl)-
CAS No: 88954-08-9 Catalog No: AG0047TD MDL No:
Product Description
Catalog Number:
AG0047TD
Chemical Name:
1,3-Benzenediol, 5-chloro-2-(1,1-dimethylethyl)-
CAS Number:
88954-08-9
Molecular Formula:
C10H13ClO2
Molecular Weight:
200.6620
IUPAC Name:
2-tert-butyl-5-chlorobenzene-1,3-diol
InChI:
InChI=1S/C10H13ClO2/c1-10(2,3)9-7(12)4-6(11)5-8(9)13/h4-5,12-13H,1-3H3
InChI Key:
BDTZJPWNXYYQSL-UHFFFAOYSA-N
SMILES:
CC(c1c(O)cc(cc1O)Cl)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.06g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.662g/mol
Monoisotopic Mass:
200.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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