Name: Name:[2-(4-bromophenyl)-5-oxocyclopent-1-en-1-yl]acetic acid
Brand: Angene
SKU: AG00G3J7
Rating: 90 (10 reviews)

[2-(4-bromophenyl)-5-oxocyclopent-1-en-1-yl]acetic acid

CAS No.:

780813-06-1

Catalog Number:

AG00G3J7

Molecular Formula:

C13H11BrO3

Molecular Weight:

295.1286

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Quantity

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United States

$226

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Catalog Number:

AG00G3J7

Chemical Name:

[2-(4-bromophenyl)-5-oxocyclopent-1-en-1-yl]acetic acid

CAS Number:

780813-06-1

Molecular Formula:

C13H11BrO3

Molecular Weight:

295.1286

MDL Number:

MFCD03763148

IUPAC Name:

2-[2-(4-bromophenyl)-5-oxocyclopenten-1-yl]acetic acid

InChI:

InChI=1S/C13H11BrO3/c14-9-3-1-8(2-4-9)10-5-6-12(15)11(10)7-13(16)17/h1-4H,5-7H2,(H,16,17)

InChI Key:

CMKICRQKPIPRJE-UHFFFAOYSA-N

SMILES:

OC(=O)CC1=C(CCC1=O)c1ccc(cc1)Br

Complexity:

365

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.989g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.132g/mol

Monoisotopic Mass:

293.989g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9