N- (2-Bromophenyl) -3-Oxobutanamide

CAT: 1299-RG-A261192-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-A261192-01Size:10 mg

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CAS Number

52700-65-9

Synonyms

N- (2-bromophenyl) -3-oxobutanamide

Molecular Formula

C10H10BrNO2

Molecular Weight

256.1

Product Name Synonym

N- (2-bromophenyl) -3-oxobutanamide

Chemical Information

n-(2-Bromophenyl)-3-oxobutanamide

CAS Number	52700-65-9
PubChem CID	879473
IUPAC Name	N-(2-bromophenyl)-3-oxobutanamide
Molecular Formula	C10H10BrNO2
Molecular Weight	256.10
XLogP	1.8
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	230

SMILES

CC(=O)CC(=O)NC1=CC=CC=C1Br

InChI

InChI=1S/C10H10BrNO2/c1-7(13)6-10(14)12-9-5-3-2-4-8(9)11/h2-5H,6H2,1H3,(H,12,14)

InChIKey

XFBZFPHVMQLUKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52700-65-9

CID: 879473

Formula: C10H10BrNO2

MW: 256.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.10
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	254.98949
Monoisotopic Mass	254.98949
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	230
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-E141441-01	N-Ethyl-3-oxobutanamide
RG-A260223-01	N- (4-Ethoxyphenyl) -3-Oxobutanamide
RG-B181575-01	N- (2-Bromophenyl) -N-Methylnitrous Amide
RG-B181574-01	N- (2-Bromophenyl) Nitrous Amide
RG-E141557-01	N- (2-Acetyl-4-bromophenyl) acetamide
RG-B011500-01	(2-Amino-3-Bromophenyl) Methanol
RG-A261989-01	2-Bromophenyl Acetate
RG-E141558-01	N-Acetyl-N- (4-bromophenyl) acetamide
RG-B181572-01	1- (2-Bromophenyl) Piperazine
RG-B181577-01	1- (3-Bromophenyl) Piperazine

Catalog	Name
OR1004881-01	N- (2-bromophenyl) -3-oxobutanamide
LCA57906	N- (3-Bromophenyl) -3-oxobutanamide
NBA41824	N- (4-Bromophenyl) -3-oxobutanamide
OR51821	2-Chloro-3-oxobutanamide
PC400714	N- (4-Bromophenyl) -4,4,4-trifluoro-3-oxobutanamide
sc-329981	N- (4-Bromophenyl) -4-hydrazino-4-oxobutanamide
sc-354413	N- (2,3-dimethylphenyl) -3-oxobutanamide
sc-279493	N- (2-fluorophenyl) -3-oxobutanamide
sc-354352	N- (2-isopropylphenyl) -3-oxobutanamide
OR89827-01	N- (2-Hydroxyethyl) -3-oxobutanamide