ethyl 3-bromoprop-2-ynoate

ethyl 3-bromoprop-2-ynoate

CAS: 41658-03-1

Formula: C5H5BrO2

SMILES: CCOC(=O)C#CBr

IUPAC: ethyl 3-bromoprop-2-ynoate

InChI: InChI=1S/C5H5BrO2/c1-2-8-5(7)3-4-6/h2H2,1H3

Composition: C (33.93%), H (2.85%), Br (45.14%), O (18.08%)

Molar Mass: 176.997

Atom Count: 13

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	175.947292
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DCZXXLMBYWALCP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.45
Topological Polar Surface Area	26.3
Polarizability	12.64
Ring Count	0
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	41658-03-1		$37.26-$688.28$37.26$73.49$181.13$688.28