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943750-46-7 | 6-Bromo-1,1-dimethyl-1,2-dihydroisoquinolin-3(4H)-one
CAS No: 943750-46-7 Catalog No: AG01EZHL MDL No:
Product Description
Catalog Number:
AG01EZHL
Chemical Name:
6-Bromo-1,1-dimethyl-1,2-dihydroisoquinolin-3(4H)-one
CAS Number:
943750-46-7
Molecular Formula:
C11H12BrNO
Molecular Weight:
254.1231
IUPAC Name:
6-bromo-1,1-dimethyl-2,4-dihydroisoquinolin-3-one
InChI:
InChI=1S/C11H12BrNO/c1-11(2)9-4-3-8(12)5-7(9)6-10(14)13-11/h3-5H,6H2,1-2H3,(H,13,14)
InChI Key:
XXCRZDLMXMERTI-UHFFFAOYSA-N
SMILES:
O=C1NC(C)(C)c2c(C1)cc(cc2)Br
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.127g/mol
Monoisotopic Mass:
253.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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