LFM-A13

CAT: 0926-MCA00435-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-MCA00435-01Size:50 mg

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CAS Number

62004-35-7

MDL Number

MFCD02179204

Smiles

C/C (=C (/C#N) \C (=O) NC1=C (C=CC (=C1) Br) Br) /O

Molecular Formula

C11H8Br2N2O2

Molecular Weight

360 g/mol

Controlled

Chemical Information

2-Cyano-N-(2,5-dibromophenyl)-3-hydroxy-2-butenamide

See also: Lfm-A13 (annotation moved to).

CAS Number	62004-35-7
PubChem CID	54686938
IUPAC Name	2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide
Molecular Formula	C11H8Br2N2O2
Molecular Weight	360.00
XLogP	3.8
Topological Polar Surface Area	73.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	386

SMILES

CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O

InChI

InChI=1S/C11H8Br2N2O2/c1-6(16)8(5-14)11(17)15-10-4-7(12)2-3-9(10)13/h2-4,16H,1H3,(H,15,17)

InChIKey

UVSVTDVJQAJIFG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 62004-35-7

CID: 54686938

Formula: C11H8Br2N2O2

MW: 360.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	360.00
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	359.89320
Monoisotopic Mass	357.89525
Topological Polar Surface Area	73.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
70R-1675	Annexin A13 antibody
70R-1674	Annexin A13 antibody
33R-4483	Annexin A13 Blocking Peptide
33R-2628	Annexin A13 Blocking Peptide
PRO-153-01	S100 Calcium Binding Protein A13, human, recombinant

Catalog	Name
401531	LFM-A13
MBS808161-01	LFM A13