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1392211-80-1 | 2H-1-Benzopyran-4-amine, 5,7-difluoro-3,4-dihydro-, hydrochloride (1:1)
CAS No: 1392211-80-1 Catalog No: AG001AIL MDL No:
Product Description
Catalog Number:
AG001AIL
Chemical Name:
2H-1-Benzopyran-4-amine, 5,7-difluoro-3,4-dihydro-, hydrochloride (1:1)
CAS Number:
1392211-80-1
Molecular Formula:
C9H10ClF2NO
Molecular Weight:
221.6316
IUPAC Name:
5,7-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
InChI:
InChI=1S/C9H9F2NO.ClH/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5;/h3-4,7H,1-2,12H2;1H
InChI Key:
FMYSMCIYYAKXTC-UHFFFAOYSA-N
SMILES:
Fc1cc2OCCC(c2c(c1)F)N.Cl
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.042g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
221.632g/mol
Monoisotopic Mass:
221.042g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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