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10203-06-2 | 2,1-Benzisoxazole, 4,7-dichloro-
CAS No: 10203-06-2 Catalog No: AG0006F3 MDL No:
Product Description
Catalog Number:
AG0006F3
Chemical Name:
2,1-Benzisoxazole, 4,7-dichloro-
CAS Number:
10203-06-2
Molecular Formula:
C7H3Cl2NO
Molecular Weight:
188.0108
IUPAC Name:
4,7-dichloro-2,1-benzoxazole
InChI:
InChI=1S/C7H3Cl2NO/c8-5-1-2-6(9)7-4(5)3-11-10-7/h1-3H
InChI Key:
XCDPTPFKYZWVEB-UHFFFAOYSA-N
SMILES:
Clc1ccc(c2c1noc2)Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.959g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.007g/mol
Monoisotopic Mass:
186.959g/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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