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82558-85-8 | Benzamide, 2,6-dichloro-N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-
CAS No: 82558-85-8 Catalog No: AG004Z5O MDL No:
Product Description
Catalog Number:
AG004Z5O
Chemical Name:
Benzamide, 2,6-dichloro-N-[3-(1,1-dimethylethyl)-5-isoxazolyl]-
CAS Number:
82558-85-8
Molecular Formula:
C14H14Cl2N2O2
Molecular Weight:
313.1792
IUPAC Name:
N-(3-tert-butyl-1,2-oxazol-5-yl)-2,6-dichlorobenzamide
InChI:
InChI=1S/C14H14Cl2N2O2/c1-14(2,3)10-7-11(20-18-10)17-13(19)12-8(15)5-4-6-9(12)16/h4-7H,1-3H3,(H,17,19)
InChI Key:
QMLZYCVCEZYIBA-UHFFFAOYSA-N
SMILES:
O=C(c1c(Cl)cccc1Cl)Nc1onc(c1)C(C)(C)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.178g/mol
Monoisotopic Mass:
312.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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