2-Bromoprop-2-enal

CAT: 0926-PAA92539-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-PAA92539-01Size:0.25 g

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CAS Number

14925-39-4

MDL Number

MFCD00061520

Smiles

C=C (C=O) Br

Molecular Formula

C3H3BrO

Molecular Weight

134.96 g/mol

Controlled

Chemical Information

2-Propenal, 2-bromo-

CAS Number	14925-39-4
PubChem CID	26969
IUPAC Name	2-bromoprop-2-enal
Molecular Formula	C3H3BrO
Molecular Weight	134.96
XLogP	1.2
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	5
Formal Charge	0
Complexity	57

SMILES

C=C(C=O)Br

InChI

InChI=1S/C3H3BrO/c1-3(4)2-5/h2H,1H2

InChIKey

MDSPECLCFVWIGQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14925-39-4

CID: 26969

Formula: C3H3BrO

MW: 134.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.96
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	133.93673
Monoisotopic Mass	133.93673
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	57.9
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
FM75245-01	2-Methylbut-2-enal
EAA43263	2-Phenylprop-2-enal
RBA65803-01	Ethyl 3-bromoprop-2-ynoate
CPC56715-01	2-Bromoprop-2-ene-1-sulfonyl chloride
LCD69286-01	2-Bromoprop-2-ene-1-sulfonyl fluoride
FO172477-01	(2E) -4-Oxonon-2-enal
CAA06025-01	3-Bromoprop-2-yn-1-ol
CAA49243-01	(2E) -4-Oxohex-2-enal
CGA87364-01	(2Z) -3- (Diethylamino) -2-fluoroprop-2-enal
MDA28021-01	N-Allyl-2-bromoprop-2-en-1-amine