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129790-08-5 | Quinoline, 7-bromo-1,2,3,4-tetrahydro-1,4,4-trimethyl-
CAS No: 129790-08-5 Catalog No: AG000TP9 MDL No:MFCD12913858
Product Description
Catalog Number:
AG000TP9
Chemical Name:
Quinoline, 7-bromo-1,2,3,4-tetrahydro-1,4,4-trimethyl-
CAS Number:
129790-08-5
Molecular Formula:
C12H16BrN
Molecular Weight:
254.1661
MDL Number:
MFCD12913858
IUPAC Name:
7-bromo-1,4,4-trimethyl-2,3-dihydroquinoline
InChI:
InChI=1S/C12H16BrN/c1-12(2)6-7-14(3)11-8-9(13)4-5-10(11)12/h4-5,8H,6-7H2,1-3H3
InChI Key:
RLEQNPQAMRXNPT-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)N(C)CCC2(C)C
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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