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Home > Bromides > 1282516-74-8
1282516-74-8 | Imidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid, 9-bromo-5,6-dihydro-
CAS No: 1282516-74-8 Catalog No: AG000XWB MDL No:
Product Description
Catalog Number:
AG000XWB
Chemical Name:
Imidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid, 9-bromo-5,6-dihydro-
CAS Number:
1282516-74-8
Molecular Formula:
C12H9BrN2O3
Molecular Weight:
309.1155
IUPAC Name:
9-bromo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxylic acid
InChI:
InChI=1S/C12H9BrN2O3/c13-7-1-2-8-10(5-7)18-4-3-15-6-9(12(16)17)14-11(8)15/h1-2,5-6H,3-4H2,(H,16,17)
InChI Key:
IRSCQONAQHCRLC-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCCn1c2nc(c1)C(=O)O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.98g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.119g/mol
Monoisotopic Mass:
307.98g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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