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902172-67-2 | 3,?4-?Dihydro-?3-?hydroxy-?3-?phenyl-1H-?pyrido[2,?1-?c]?[1,?4]?oxazinium bromide
CAS No: 902172-67-2 Catalog No: AG01EYYS MDL No:
Product Description
Catalog Number:
AG01EYYS
Chemical Name:
3,?4-?Dihydro-?3-?hydroxy-?3-?phenyl-1H-?pyrido[2,?1-?c]?[1,?4]?oxazinium bromide
CAS Number:
902172-67-2
Molecular Formula:
C14H14BrNO2
Molecular Weight:
308.1705
IUPAC Name:
3-phenyl-1,4-dihydropyrido[2,1-c][1,4]oxazin-5-ium-3-ol;bromide
InChI:
InChI=1S/C14H14NO2.BrH/c16-14(12-6-2-1-3-7-12)11-15-9-5-4-8-13(15)10-17-14;/h1-9,16H,10-11H2;1H/q+1;/p-1
InChI Key:
GTSPCTUYQAJOAN-UHFFFAOYSA-M
SMILES:
OC1(OCc2[n+](C1)cccc2)c1ccccc1.[Br-]
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.021g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.175g/mol
Monoisotopic Mass:
307.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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