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Home > Bromides > 1220039-59-7
1220039-59-7 | 4H-1,4-Benzoxazine-4-carboxylic acid, 7-bromo-2,3-dihydro-, 1,1-dimethylethyl ester
CAS No: 1220039-59-7 Catalog No: AG0016L0 MDL No:MFCD12913754
Product Description
Catalog Number:
AG0016L0
Chemical Name:
4H-1,4-Benzoxazine-4-carboxylic acid, 7-bromo-2,3-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1220039-59-7
Molecular Formula:
C13H16BrNO3
Molecular Weight:
314.1750
MDL Number:
MFCD12913754
IUPAC Name:
tert-butyl 7-bromo-2,3-dihydro-1,4-benzoxazine-4-carboxylate
InChI:
InChI=1S/C13H16BrNO3/c1-13(2,3)18-12(16)15-6-7-17-11-8-9(14)4-5-10(11)15/h4-5,8H,6-7H2,1-3H3
InChI Key:
YTHGOQVVMDXWCZ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)OCCN2C(=O)OC(C)(C)C
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.179g/mol
Monoisotopic Mass:
313.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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