methyl 2-bromobut-2-enoate

methyl 2-bromobut-2-enoate

CAS: 17642-18-1

Formula: C5H7BrO2

SMILES: COC(=O)C(Br)=CC

IUPAC: methyl 2-bromobut-2-enoate

InChI: InChI=1S/C5H7BrO2/c1-3-4(6)5(7)8-2/h3H,1-2H3

Composition: C (33.55%), H (3.94%), Br (44.64%), O (17.87%)

Molar Mass: 179.013

Atom Count: 15

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	177.962942
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	DMKWWKUPZZAUQL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.34
Topological Polar Surface Area	26.3
Polarizability	13.4
Ring Count	0
Rotatable Bond Count	2

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