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1018978-85-2 | 2H-1-Benzopyran-4-amine, 6-fluoro-3,4-dihydro-, (4S)-
CAS No: 1018978-85-2 Catalog No: AG0005V1 MDL No:MFCD06761991
Product Description
Catalog Number:
AG0005V1
Chemical Name:
2H-1-Benzopyran-4-amine, 6-fluoro-3,4-dihydro-, (4S)-
CAS Number:
1018978-85-2
Molecular Formula:
C9H10FNO
Molecular Weight:
167.1802
MDL Number:
MFCD06761991
IUPAC Name:
(4S)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
InChI:
InChI=1S/C9H10FNO/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8H,3-4,11H2/t8-/m0/s1
InChI Key:
WVQYSVLMDHXHOV-QMMMGPOBSA-N
SMILES:
Fc1ccc2c(c1)[C@@H](N)CCO2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
167.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.183g/mol
Monoisotopic Mass:
167.075g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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