(E) -2-Bromocinnamaldehyde

CAT: 0127-OR1008335-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1008335-01Size:1 g

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CAS Number

138555-58-5

MDL Number

MFCD03032509

Purity

96%

Smiles

BrC1=C(C=CC=O)C=CC=C1

Chemical Information

3-(2-Bromophenyl)acrylaldehyde

CAS Number	138555-58-5
PubChem CID	10512662
IUPAC Name	(E)-3-(2-bromophenyl)prop-2-enal
Molecular Formula	C9H7BrO
Molecular Weight	211.05
XLogP	2.5
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	154

SMILES

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

InChI

InChI=1S/C9H7BrO/c10-9-6-2-1-4-8(9)5-3-7-11/h1-7H/b5-3+

InChIKey

NIDKLBQFMCVZKV-HWKANZROSA-N

Chemical Structure

2D Structure

CAS: 138555-58-5

CID: 10512662

Formula: C9H7BrO

MW: 211.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.05
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	209.96803
Monoisotopic Mass	209.96803
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154
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

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Catalog	Name
263578-01	2-Bromocinnamaldehyde
sc-233762	α-Bromocinnamaldehyde
263189-01	4-Bromocinnamaldehyde
235024-01	A-Bromocinnamaldehyde 98+%
CS-O-55007	Alpha-Bromocinnamaldehyde
sc-237195	Trans-4-Bromocinnamaldehyde
H 038-001	2'- , 2''-, 2''', 2'''', 2''''', 2''''''- Hexadeoxy- 2'-, 2'', 2''', 2'''', 2''''', 2''''''- hexafluoro- cyclic hexaadenosine monophosphate (2',2'',2''',2'''',2''''',2''''''-Hexa-F-c-hexadAMP / cFA6), sodium salt
290342-01	2,2,2-Trifluoroethyl 2,5-bis (2,2,2-trifluoroethoxy) benzoate
TRC-T790240-50MG	2,2,2-Trifluoroethyl 2-Hydroxy-5-(2,2,2-trifluoroethoxy)benzoate
TRC-T790200-100MG	2,2,2-Trifluoroethyl 2,5-Bis(2,2,2-trifluoroethoxy)benzoate