Name: Name:7-bromo-4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid
Brand: Angene
SKU: AG01ELBB
Rating: 90 (10 reviews)

7-bromo-4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid

CAS No.:

2138078-96-1

Catalog Number:

AG01ELBB

Molecular Formula:

C15H18BrNO5

Molecular Weight:

372.2111

Catalog Number:

AG01ELBB

Chemical Name:

7-bromo-4-[(tert-butoxy)carbonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxylic acid

CAS Number:

2138078-96-1

Molecular Formula:

C15H18BrNO5

Molecular Weight:

372.2111

MDL Number:

MFCD31613129

IUPAC Name:

7-bromo-4-[(2-methylpropan-2-yl)oxycarbonyl]-3,5-dihydro-2H-1,4-benzoxazepine-9-carboxylic acid

InChI:

InChI=1S/C15H18BrNO5/c1-15(2,3)22-14(20)17-4-5-21-12-9(8-17)6-10(16)7-11(12)13(18)19/h6-7H,4-5,8H2,1-3H3,(H,18,19)

InChI Key:

DGOFSTDOTPEOHE-UHFFFAOYSA-N

SMILES:

Brc1cc2CN(CCOc2c(c1)C(=O)O)C(=O)OC(C)(C)C

Complexity:

436

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

371.037g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

372.215g/mol

Monoisotopic Mass:

371.037g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

76.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6