Name: Name:tert-Butyl 4-bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
Brand: Angene
SKU: AG00III2
Rating: 90 (10 reviews)

tert-Butyl 4-bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

CAS No.:

947407-87-6

Catalog Number:

AG00III2

Molecular Formula:

C9H12BrNO3

Molecular Weight:

262.1005

Catalog Number:

AG00III2

Chemical Name:

tert-Butyl 4-bromo-2-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate

CAS Number:

947407-87-6

Molecular Formula:

C9H12BrNO3

Molecular Weight:

262.1005

MDL Number:

MFCD16036709

IUPAC Name:

tert-butyl 3-bromo-5-oxo-2H-pyrrole-1-carboxylate

InChI:

InChI=1S/C9H12BrNO3/c1-9(2,3)14-8(13)11-5-6(10)4-7(11)12/h4H,5H2,1-3H3

InChI Key:

BPZPSQDKVBXRRO-UHFFFAOYSA-N

SMILES:

O=C(N1CC(=CC1=O)Br)OC(C)(C)C

Complexity:

304

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

261g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

262.103g/mol

Monoisotopic Mass:

261g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4