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Home > Bromides > 1219130-51-4
1219130-51-4 | 1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro-3-methyl-
CAS No: 1219130-51-4 Catalog No: AG0016EG MDL No:
Product Description
Catalog Number:
AG0016EG
Chemical Name:
1(2H)-Isoquinolinone, 6-bromo-3,4-dihydro-3-methyl-
CAS Number:
1219130-51-4
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
IUPAC Name:
6-bromo-3-methyl-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C10H10BrNO/c1-6-4-7-5-8(11)2-3-9(7)10(13)12-6/h2-3,5-6H,4H2,1H3,(H,12,13)
InChI Key:
DGUKGSUONYQZOR-UHFFFAOYSA-N
SMILES:
CC1Cc2cc(Br)ccc2C(=O)N1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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