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114239-31-5 | 1,4-Benzenediol, 2-chloro-5-(1,1-dimethylethyl)-, 1,4-diacetate
CAS No: 114239-31-5 Catalog No: AG000AX0 MDL No:
Product Description
Catalog Number:
AG000AX0
Chemical Name:
1,4-Benzenediol, 2-chloro-5-(1,1-dimethylethyl)-, 1,4-diacetate
CAS Number:
114239-31-5
Molecular Formula:
C14H17ClO4
Molecular Weight:
284.7354
IUPAC Name:
acetic acid;2-tert-butyl-5-chlorobenzene-1,4-diol
InChI:
InChI=1S/C10H13ClO2.2C2H4O2/c1-10(2,3)6-4-9(13)7(11)5-8(6)12;2*1-2(3)4/h4-5,12-13H,1-3H3;2*1H3,(H,3,4)
InChI Key:
LYDWRZJLDBOQGY-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(c(cc1Cl)OC(=O)C)C(C)(C)C
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
320.766g/mol
Monoisotopic Mass:
320.103g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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