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16302-64-0 | 1,2-Benzisoxazole, 3-chloro-6-methyl-
CAS No: 16302-64-0 Catalog No: AG001TMS MDL No:MFCD06659627
Product Description
Catalog Number:
AG001TMS
Chemical Name:
1,2-Benzisoxazole, 3-chloro-6-methyl-
CAS Number:
16302-64-0
Molecular Formula:
C8H6ClNO
Molecular Weight:
167.5923
MDL Number:
MFCD06659627
IUPAC Name:
3-chloro-6-methyl-1,2-benzoxazole
InChI:
InChI=1S/C8H6ClNO/c1-5-2-3-6-7(4-5)11-10-8(6)9/h2-4H,1H3
InChI Key:
RUNSDQIHKJDPRK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)onc2Cl
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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