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264602-74-6 | Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS No: 264602-74-6 Catalog No: AG002TBJ MDL No:MFCD16618984
Product Description
Catalog Number:
AG002TBJ
Chemical Name:
Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-4,4-dimethyl-
CAS Number:
264602-74-6
Molecular Formula:
C11H14BrN
Molecular Weight:
240.1396
MDL Number:
MFCD16618984
IUPAC Name:
7-bromo-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
InChI:
InChI=1S/C11H14BrN/c1-11(2)7-13-6-8-5-9(12)3-4-10(8)11/h3-5,13H,6-7H2,1-2H3
InChI Key:
NOMMPPJSKTYNEA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)CNCC2(C)C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.144g/mol
Monoisotopic Mass:
239.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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