methyl 3-bromoprop-2-ynoate

methyl 3-bromoprop-2-ynoate

CAS: 23680-40-2

Formula: C4H3BrO2

SMILES: COC(=O)C#CBr

IUPAC: methyl 3-bromoprop-2-ynoate

InChI: InChI=1S/C4H3BrO2/c1-7-4(6)2-3-5/h1H3

Composition: C (29.48%), H (1.86%), Br (49.03%), O (19.63%)

Molar Mass: 162.97

Atom Count: 10

Heavy Atom Count: 7

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	161.931642
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	PITMUHRRCBFULF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	27.71
Topological Polar Surface Area	26.3
Polarizability	10.88
Ring Count	0
Rotatable Bond Count	2

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