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197379-70-7 | Quinoline, 6-bromo-1,2,3,4-tetrahydro-1,4,4-trimethyl-
CAS No: 197379-70-7 Catalog No: AG002AS9 MDL No:MFCD12913856
Product Description
Catalog Number:
AG002AS9
Chemical Name:
Quinoline, 6-bromo-1,2,3,4-tetrahydro-1,4,4-trimethyl-
CAS Number:
197379-70-7
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
MDL Number:
MFCD12913856
IUPAC Name:
6-bromo-1,4,4-trimethyl-2,3-dihydroquinoline
InChI:
InChI=1S/C12H16BrN/c1-12(2)6-7-14(3)11-5-4-9(13)8-10(11)12/h4-5,8H,6-7H2,1-3H3
InChI Key:
BOOIABRLBHYNSK-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)C(C)(C)CCN2C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.171g/mol
Monoisotopic Mass:
253.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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