3-Bromo-4-ethylaniline

CAT: 0024-sc-470129Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-470129Size:100 mg

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CAS Number

52121-36-5

Chemical Information

3-Bromo-4-ethylaniline

CAS Number	52121-36-5
PubChem CID	22345617
IUPAC Name	3-bromo-4-ethylaniline
Molecular Formula	C8H10BrN
Molecular Weight	200.08
XLogP	2.7
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

CCC1=C(C=C(C=C1)N)Br

InChI

InChI=1S/C8H10BrN/c1-2-6-3-4-7(10)5-8(6)9/h3-5H,2,10H2,1H3

InChIKey

IPHAQVXZIPRVRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 52121-36-5

CID: 22345617

Formula: C8H10BrN

MW: 200.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.08
XLogP3	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	198.99966
Monoisotopic Mass	198.99966
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
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
sc-232439	4-Bromo-2-ethylaniline
sc-267291	4-Bromo-2-ethylaniline hydrochloride
sc-256747A	4-Ethylaniline
sc-256747	4-Ethylaniline
sc-238541	3-Ethylaniline
sc-486081	3,4-Methylenedioxy-N-ethylaniline
sc-357643	4- (Trifluoromethylsulphonyl) -N-ethylaniline
sc-238032	2-Ethylaniline
sc-236038	N-Ethylaniline
sc-261179	3,5-Bis (trifluoromethyl) -N-ethylaniline

Catalog	Name
CCA12142	4-Bromo-3-ethylaniline
266499-01	3-Bromo-4-ethylaniline
OR1002097-01	2-Bromo-4-ethylaniline
430739-01	4-Bromo-2-ethylaniline
231695-01	3-Bromo-4-ethylaniline ≥97% (HPLC)
OR91501-01	3-Bromo-5-ethylaniline
YQA15169-01	3-bromo-N-ethylaniline
OR4332-01	4-Bromo-2-ethylaniline hydrochloride
B212430	4-Bromo-N-(3-bromobenzyl)-N-ethylaniline
OR1084111-01	4-Bromo-2-chloro-6-ethylaniline