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247092-09-7 | 1,2-Benzisoxazole, 3-chloro-4-fluoro-
CAS No: 247092-09-7 Catalog No: AG002P4H MDL No:MFCD20440809
Product Description
Catalog Number:
AG002P4H
Chemical Name:
1,2-Benzisoxazole, 3-chloro-4-fluoro-
CAS Number:
247092-09-7
Molecular Formula:
C7H3ClFNO
Molecular Weight:
171.5562
MDL Number:
MFCD20440809
IUPAC Name:
3-chloro-4-fluoro-1,2-benzoxazole
InChI:
InChI=1S/C7H3ClFNO/c8-7-6-4(9)2-1-3-5(6)11-10-7/h1-3H
InChI Key:
OVWJVIDSGXOFSH-UHFFFAOYSA-N
SMILES:
Fc1cccc2c1c(Cl)no2
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.989g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.555g/mol
Monoisotopic Mass:
170.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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