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79085-71-5 | Quinoline, 5-bromo-6-fluoro-1,2,3,4-tetrahydro-2-methyl-
CAS No: 79085-71-5 Catalog No: AG005BQT MDL No:MFCD22581295
Product Description
Catalog Number:
AG005BQT
Chemical Name:
Quinoline, 5-bromo-6-fluoro-1,2,3,4-tetrahydro-2-methyl-
CAS Number:
79085-71-5
Molecular Formula:
C10H11BrFN
Molecular Weight:
244.1034
MDL Number:
MFCD22581295
IUPAC Name:
5-bromo-6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
InChI:
InChI=1S/C10H11BrFN/c1-6-2-3-7-9(13-6)5-4-8(12)10(7)11/h4-6,13H,2-3H2,1H3
InChI Key:
XHAXMUHHFPDPDH-UHFFFAOYSA-N
SMILES:
CC1CCc2c(N1)ccc(c2Br)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.107g/mol
Monoisotopic Mass:
243.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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