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175205-57-9 | 2H-1-Benzopyran-3-carbonitrile, 4-chloro-6-fluoro-
CAS No: 175205-57-9 Catalog No: AG0020OY MDL No:MFCD00084940
Product Description
Catalog Number:
AG0020OY
Chemical Name:
2H-1-Benzopyran-3-carbonitrile, 4-chloro-6-fluoro-
CAS Number:
175205-57-9
Molecular Formula:
C10H5ClFNO
Molecular Weight:
209.6042
MDL Number:
MFCD00084940
IUPAC Name:
4-chloro-6-fluoro-2H-chromene-3-carbonitrile
InChI:
InChI=1S/C10H5ClFNO/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-3H,5H2
InChI Key:
LTQZKNVFNOGFJL-UHFFFAOYSA-N
SMILES:
Fc1cc2C(=C(COc2cc1)C#N)Cl
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.604g/mol
Monoisotopic Mass:
209.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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