3-Bromocinnamic acid ethyl ester

CAT: 0926-FB67241-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FB67241-02Size:10 g

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CAS Number

24398-80-9

MDL Number

MFCD11111008

Smiles

CCOC (=O) /C=C/C1=CC (=CC=C1) Br

Molecular Formula

C11H11BrO2

Molecular Weight

255.11 g/mol

Controlled

Chemical Information

Ethyl 3-(3-bromophenyl)acrylate

CAS Number	24398-80-9
PubChem CID	5369361
IUPAC Name	ethyl (E)-3-(3-bromophenyl)prop-2-enoate
Molecular Formula	C11H11BrO2
Molecular Weight	255.11
XLogP	3.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	14
Formal Charge	0
Complexity	213

SMILES

CCOC(=O)/C=C/C1=CC(=CC=C1)Br

InChI

InChI=1S/C11H11BrO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3/b7-6+

InChIKey

MSSAFCYKWMNVMZ-VOTSOKGWSA-N

Chemical Structure

2D Structure

CAS: 24398-80-9

CID: 5369361

Formula: C11H11BrO2

MW: 255.11

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.11
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	253.99424
Monoisotopic Mass	253.99424
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213
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
FB67068-01	3-Bromocinnamic acid methyl ester
FB70925	3-Bromocinnamic acid
FB12566-01	4-Bromocinnamic acid
FA70574-01	3-Aminocinnamic acid ethyl ester
FC66858-01	3-Cyanobenzoic acid ethyl ester
FO15283-01	3-Oxodecanoic acid ethyl ester
DHA74295-01	3-Ethynylbenzoic acid ethyl ester
FD67083-01	3,5-Dihydroxybenzoic acid ethyl ester
FD70533-01	3,5-Dimethylbenzoic acid ethyl ester
FO177036-01	3-Oxopropionic acid ethyl ester sodium

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