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1260783-81-0 | 1,2-Benzisoxazole, 4-chloro-
CAS No: 1260783-81-0 Catalog No: AG000R8U MDL No:
Product Description
Catalog Number:
AG000R8U
Chemical Name:
1,2-Benzisoxazole, 4-chloro-
CAS Number:
1260783-81-0
Molecular Formula:
C7H4ClNO
Molecular Weight:
153.5658
IUPAC Name:
4-chloro-1,2-benzoxazole
InChI:
InChI=1S/C7H4ClNO/c8-6-2-1-3-7-5(6)4-9-10-7/h1-4H
InChI Key:
KIDRAJFMFLDKDJ-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1cno2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.998g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.565g/mol
Monoisotopic Mass:
152.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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