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Home > Nitro Compounds > 88958-30-9
88958-30-9 | 3-Isoxazolecarbonyl chloride, 5-(3-nitrophenyl)-
CAS No: 88958-30-9 Catalog No: AG0046JX MDL No:
Product Description
Catalog Number:
AG0046JX
Chemical Name:
3-Isoxazolecarbonyl chloride, 5-(3-nitrophenyl)-
CAS Number:
88958-30-9
Molecular Formula:
C10H5ClN2O4
Molecular Weight:
252.6107
IUPAC Name:
5-(3-nitrophenyl)-1,2-oxazole-3-carbonyl chloride
InChI:
InChI=1S/C10H5ClN2O4/c11-10(14)8-5-9(17-12-8)6-2-1-3-7(4-6)13(15)16/h1-5H
InChI Key:
XUKRUOUUYAWVHB-UHFFFAOYSA-N
SMILES:
ClC(=O)c1noc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.994g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.61g/mol
Monoisotopic Mass:
251.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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