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535992-89-3 | 2,1-Benzisoxazole-3-carbonyl chloride (9CI)
CAS No: 535992-89-3 Catalog No: AG00DNXM MDL No:
Product Description
Catalog Number:
AG00DNXM
Chemical Name:
2,1-Benzisoxazole-3-carbonyl chloride (9CI)
CAS Number:
535992-89-3
IUPAC Name:
2,1-benzoxazole-3-carbonyl chloride
InChI:
InChI=1S/C8H4ClNO2/c9-8(11)7-5-3-1-2-4-6(5)10-12-7/h1-4H
InChI Key:
SQOJCCSSLKOMQW-UHFFFAOYSA-N
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:
2.5
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