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128520-86-5 | 1,2-Benzisoxazole, 3-chloro-7-methyl-
CAS No: 128520-86-5 Catalog No: AG000Y59 MDL No:
Product Description
Catalog Number:
AG000Y59
Chemical Name:
1,2-Benzisoxazole, 3-chloro-7-methyl-
CAS Number:
128520-86-5
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
IUPAC Name:
3-chloro-7-methyl-1,2-benzoxazole
InChI:
InChI=1S/C8H6ClNO/c1-5-3-2-4-6-7(5)11-10-8(6)9/h2-4H,1H3
InChI Key:
JJDNTIJMCMIVES-UHFFFAOYSA-N
SMILES:
Cc1cccc2c1onc2Cl
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.014g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.592g/mol
Monoisotopic Mass:
167.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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