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15026-76-3 | 5-Benzoxazolecarbonyl chloride
CAS No: 15026-76-3 Catalog No: AG001MG7 MDL No:
Product Description
Catalog Number:
AG001MG7
Chemical Name:
5-Benzoxazolecarbonyl chloride
CAS Number:
15026-76-3
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
IUPAC Name:
1,3-benzoxazole-5-carbonyl chloride
InChI:
InChI=1S/C8H4ClNO2/c9-8(11)5-1-2-7-6(3-5)10-4-12-7/h1-4H
InChI Key:
AYROJMLDBNSKHS-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)nco2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.993g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.575g/mol
Monoisotopic Mass:
180.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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