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1228542-35-5 | 2H-1-Benzopyran-4-amine, 8-chloro-3,4-dihydro-, (4S)-
CAS No: 1228542-35-5 Catalog No: AG000JLE MDL No:MFCD07374053
Product Description
Catalog Number:
AG000JLE
Chemical Name:
2H-1-Benzopyran-4-amine, 8-chloro-3,4-dihydro-, (4S)-
CAS Number:
1228542-35-5
Molecular Formula:
C9H10ClNO
Molecular Weight:
183.6348
MDL Number:
MFCD07374053
IUPAC Name:
(4S)-8-chloro-3,4-dihydro-2H-chromen-4-amine
InChI:
InChI=1S/C9H10ClNO/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-3,8H,4-5,11H2/t8-/m0/s1
InChI Key:
YCWHOLRRUIEVQK-QMMMGPOBSA-N
SMILES:
N[C@H]1CCOc2c1cccc2Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
183.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
183.635g/mol
Monoisotopic Mass:
183.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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