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Home > Bromides > 1021859-84-6
1021859-84-6 | 2H-1,4-Benzoxazine-2-carboxylic acid, 8-bromo-3,4-dihydro-, ethyl ester
CAS No: 1021859-84-6 Catalog No: AG0006TS MDL No:MFCD27992132
Product Description
Catalog Number:
AG0006TS
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
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
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