2-Bromo-4-ethynylaniline

CAT: 0127-OR87512Size: 1 EachDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR87512Size:1 Each

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

2613383-15-4

MDL Number

MFCD33032024

Purity

98%

Smiles

NC1=CC=C(C#C)C=C1Br

Chemical Information

2-Bromo-4-ethynylaniline

CAS Number	2613383-15-4
PubChem CID	155943648
IUPAC Name	2-bromo-4-ethynylaniline
Molecular Formula	C8H6BrN
Molecular Weight	196.04
XLogP	2.2
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	158

SMILES

C#CC1=CC(=C(C=C1)N)Br

InChI

InChI=1S/C8H6BrN/c1-2-6-3-4-8(10)7(9)5-6/h1,3-5H,10H2

InChIKey

ZCPDFDAOJIJTIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2613383-15-4

CID: 155943648

Formula: C8H6BrN

MW: 196.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	196.04
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	194.96836
Monoisotopic Mass	194.96836
Topological Polar Surface Area	26 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	158
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-238838	4-Ethynylaniline
ANB60193-01	2-Chloro-4-ethynylaniline
sc-254235	2-Ethynylaniline
233143-01	4-Ethynylaniline 98+% (HPLC)
PDK0262	3-Ethynylaniline
RBA87668-01	N, N-Dibutyl-4-ethynylaniline
GTR19250864-01	3-Ethynylaniline hydrochloride
sc-496771	3-Ethynylaniline-d4
E16460-01	3-Ethynylaniline 98%
sc-335776	3-Ethynylaniline HCl