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115900-06-6 | Pyridine, 4-(3-bromophenyl)-1,2,3,6-tetrahydro-1-methyl-
CAS No: 115900-06-6 Catalog No: AG000H31 MDL No:
Product Description
Catalog Number:
AG000H31
Chemical Name:
Pyridine, 4-(3-bromophenyl)-1,2,3,6-tetrahydro-1-methyl-
CAS Number:
115900-06-6
Molecular Formula:
C12H14BrN
Molecular Weight:
252.1503
IUPAC Name:
4-(3-bromophenyl)-1-methyl-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C12H14BrN/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8H2,1H3
InChI Key:
NNEZPRJPBBKDSR-UHFFFAOYSA-N
SMILES:
CN1CCC(=CC1)c1cccc(c1)Br
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.155g/mol
Monoisotopic Mass:
251.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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