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1228556-85-1 | 2H-1-Benzopyran-4-amine, 6-bromo-3,4-dihydro-, (4S)-
CAS No: 1228556-85-1 Catalog No: AG000JMC MDL No:MFCD06762480
Product Description
Catalog Number:
AG000JMC
Chemical Name:
2H-1-Benzopyran-4-amine, 6-bromo-3,4-dihydro-, (4S)-
CAS Number:
1228556-85-1
Molecular Formula:
C9H10BrNO
Molecular Weight:
228.0858
MDL Number:
MFCD06762480
IUPAC Name:
(4S)-6-bromo-3,4-dihydro-2H-chromen-4-amine
InChI:
InChI=1S/C9H10BrNO/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:
ZESQTVMJJLDRNQ-QMMMGPOBSA-N
SMILES:
Brc1ccc2c(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:
226.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.089g/mol
Monoisotopic Mass:
226.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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