Methyl 4-bromocrotonate

CAT: 0024-sc-228541Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-228541Size:5 g

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CAS Number

1117-71-1

Chemical Information

2-Butenoic acid, 4-bromo-, methyl ester

CAS Number	1117-71-1
PubChem CID	5369175
IUPAC Name	methyl (E)-4-bromobut-2-enoate
Molecular Formula	C5H7BrO2
Molecular Weight	179.01
XLogP	1.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	98

SMILES

COC(=O)/C=C/CBr

InChI

InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+

InChIKey

RWIKCBHOVNDESJ-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 1117-71-1

CID: 5369175

Formula: C5H7BrO2

MW: 179.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	179.01
XLogP3	1.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	177.96294
Monoisotopic Mass	177.96294
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	98.6
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-239907	Ethyl 4-bromocrotonate
sc-228548	Methyl 4-methyl-4-nitropentanoate
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate
sc-315190	4-[ (3-Methyl-4-nitrophenoxy) methyl]piperidine
sc-232344	4-[ (4-Methyl-1-piperazinyl) methyl]benzylamine
sc-486079	4-Methyl-4-heptanol
sc-277507	4-Methyl-4-octanol
sc-486287	4-Methyl-4-nitrovaleraldehyde
sc-277506	4-Methyl-4-nonanol
sc-235783	Methyl 4,4-dimethoxybutyrate

Catalog	Name
OR10966-01	Methyl 4-bromocrotonate
455478-01	Methyl 4-Bromocrotonate, 85%
M12890-01	Methyl 4-bromocrotonate Tech. Grade
OR940897-01	Methyl 4-methyl-4-nitropentanoate
OR1013824-01	Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
XPD10566-01	4-Methyl-4-[ (methylsulfanyl) methyl]piperidine
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
ZMA54487-01	Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
OR1092028	Methyl 4-methyl-α-oxobenzeneacetate