Home Bromides 1021859-84-6
1021859-84-6,MFCD27992132
Catalog No.:AA0006R0
1021859-84-6 | 2H-1,4-Benzoxazine-2-carboxylic acid, 8-bromo-3,4-dihydro-, ethyl ester
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250mg
95%
1 week  
$658.00   $461.00
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Technical Information
Catalog Number:
AA0006R0
Chemical Name:
2H-1,4-Benzoxazine-2-carboxylic acid, 8-bromo-3,4-dihydro-, ethyl ester
CAS Number:
1021859-84-6
Molecular Formula:
C11H12BrNO3
Molecular Weight:
286.1219
MDL Number:
MFCD27992132
IUPAC Name:
ethyl 8-bromo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
InChI:
InChI=1S/C11H12BrNO3/c1-2-15-11(14)9-6-13-8-5-3-4-7(12)10(8)16-9/h3-5,9,13H,2,6H2,1H3
InChI Key:
HVLQSHBSZNHJCZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CNc2c(O1)c(Br)ccc2
Properties
Computed Properties
 
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.125g/mol
Monoisotopic Mass:
285g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
1021859-84-6 
ethyl 8-bromo-3,4-dihydro-2h-benzo[b][1,4]oxazine-2-carboxylate 
SCHEMBL3207330 
HVLQSHBSZNHJCZ-UHFFFAOYSA-N 
MFCD27992132 
2H-1,4-Benzoxazine-2-carboxylic acid, 8-bromo-3,4-dihydro-, ethyl ester 
Thieno[3,2-c]pyridine 
ACN-046191 
8-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine-2-carboxylic acid ethyl ester 
272-14-0 
Literature
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