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123296-73-1 | 2H-1,4-Benzoxazine-5-carboxylic acid, 7-bromo-8-chloro-3,4-dihydro-
CAS No: 123296-73-1 Catalog No: AG000K9W MDL No:
Product Description
Catalog Number:
AG000K9W
Chemical Name:
2H-1,4-Benzoxazine-5-carboxylic acid, 7-bromo-8-chloro-3,4-dihydro-
CAS Number:
123296-73-1
Molecular Formula:
C9H7BrClNO3
Molecular Weight:
292.5138
IUPAC Name:
7-bromo-8-chloro-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid
InChI:
InChI=1S/C9H7BrClNO3/c10-5-3-4(9(13)14)7-8(6(5)11)15-2-1-12-7/h3,12H,1-2H2,(H,13,14)
InChI Key:
QJLQIKCDLKVQMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(c2c1NCCO2)Cl
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.93g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
292.513g/mol
Monoisotopic Mass:
290.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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