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116470-17-8 | Isoxazole, 5-chloro-4-(dichloromethyl)-3-(4-nitrophenyl)-
CAS No: 116470-17-8 Catalog No: AG000CKR MDL No:
Product Description
Catalog Number:
AG000CKR
Chemical Name:
Isoxazole, 5-chloro-4-(dichloromethyl)-3-(4-nitrophenyl)-
CAS Number:
116470-17-8
Molecular Formula:
C10H5Cl3N2O3
Molecular Weight:
307.5173
IUPAC Name:
5-chloro-4-(dichloromethyl)-3-(4-nitrophenyl)-1,2-oxazole
InChI:
InChI=1S/C10H5Cl3N2O3/c11-9(12)7-8(14-18-10(7)13)5-1-3-6(4-2-5)15(16)17/h1-4,9H
InChI Key:
UWGZTMUYBFIOKB-UHFFFAOYSA-N
SMILES:
ClC(c1c(Cl)onc1c1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.937g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.511g/mol
Monoisotopic Mass:
305.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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