4-Bromo-2-Ethylbenzaldehyde

CAT: 0127-OR1027295-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1027295-01Size:100 mg

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CAS Number

1114808-89-7

Synonyms

4-bromo-2-ethylbenzaldehyde

Purity

95%

Smiles

CCC1=C(C=CC(=C1)Br)C=O

Chemical Information

4-Bromo-2-ethylbenzaldehyde

CAS Number	1114808-89-7
PubChem CID	53256793
IUPAC Name	4-bromo-2-ethylbenzaldehyde
Molecular Formula	C9H9BrO
Molecular Weight	213.07
XLogP	2.9
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	136

SMILES

CCC1=C(C=CC(=C1)Br)C=O

InChI

InChI=1S/C9H9BrO/c1-2-7-5-9(10)4-3-8(7)6-11/h3-6H,2H2,1H3

InChIKey

SQLKXUKAJYHRNP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1114808-89-7

CID: 53256793

Formula: C9H9BrO

MW: 213.07

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	213.07
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	211.98368
Monoisotopic Mass	211.98368
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	136
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
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OR1094634-01	4-Ethoxy-2-ethylbenzaldehyde
OR1093382-01	4- (Benzyloxy) -2-ethylbenzaldehyde
OR1064229-01	4-Chloro-2-ethylbenzaldehyde
OR1096687-01	3-Bromo-5-ethylbenzaldehyde
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OR1082048	2-Chloro-4-ethylbenzaldehyde

Catalog	Name
PUB80889-01	4-Bromo-2-ethylbenzaldehyde
TRC-B682965-500MG	4-Bromo-3-ethylbenzaldehyde
sc-232652B	4-Ethylbenzaldehyde
FE23135-01	2-Ethylbenzaldehyde
sc-277381	4-ethylbenzaldehyde oxime
HY-W012657R-01	4-Ethylbenzaldehyde (Standard)
VMB71706-01	4-Chloro-3-ethylbenzaldehyde
TNA85074-01	2-Chloro-6-ethylbenzaldehyde
GTR19224611-01	M-Ethylbenzaldehyde
TRC-E899838-500MG	3-Ethylbenzaldehyde