Home Halogens 3-amino-6-bromo-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride

3-amino-6-bromo-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride

CAS No.:
61961-56-6
Catalog Number:
AG01AN50
Molecular Formula:
C9H9BrClNO2
Molecular Weight:
278.5303
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Product Description
Catalog Number:
AG01AN50
Chemical Name:
3-amino-6-bromo-3,4-dihydro-2H-1-benzopyran-4-one hydrochloride
CAS Number:
61961-56-6
Molecular Formula:
C9H9BrClNO2
Molecular Weight:
278.5303
MDL Number:
MFCD29034152
IUPAC Name:
3-amino-6-bromo-2,3-dihydrochromen-4-one;hydrochloride
InChI:
InChI=1S/C9H8BrNO2.ClH/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8;/h1-3,7H,4,11H2;1H
InChI Key:
KHUHCGUMZVBBOD-UHFFFAOYSA-N
SMILES:
NC1COc2c(C1=O)cc(cc2)Br.Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.951g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
278.53g/mol
Monoisotopic Mass:
276.951g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties