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1170470-60-6 | 2H-1-Benzothiopyran-4-amine, 6-bromo-3,4-dihydro-, hydrochloride (1:1)
CAS No: 1170470-60-6 Catalog No: AG000DM9 MDL No:MFCD09835500
Product Description
Catalog Number:
AG000DM9
Chemical Name:
2H-1-Benzothiopyran-4-amine, 6-bromo-3,4-dihydro-, hydrochloride (1:1)
CAS Number:
1170470-60-6
Molecular Formula:
C9H11BrClNS
Molecular Weight:
280.6123
MDL Number:
MFCD09835500
IUPAC Name:
6-bromo-3,4-dihydro-2H-thiochromen-4-amine;hydrochloride
InChI:
InChI=1S/C9H10BrNS.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H
InChI Key:
PHXMSFQOCYPAGT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(N)CCS2.Cl
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.948g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.608g/mol
Monoisotopic Mass:
278.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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