methyl 2-bromo-3-oxobutanoate

methyl 2-bromo-3-oxobutanoate

CAS: 3600-18-8

Formula: C5H7BrO3

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

IUPAC: methyl 2-bromo-3-oxobutanoate

InChI: InChI=1/C5H7BrO3/c1-3(7)4(6)5(8)9-2/h4H,1-2H3

Composition: C (30.80%), H (3.62%), Br (40.97%), O (24.61%)

Molar Mass: 195.012

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	193.957857
Formal Charge	0
FSP3	0.6
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZWBZYFBEOOKNPH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.68
Topological Polar Surface Area	43.37
Polarizability	13.87
Ring Count	0
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	3600-18-8		$139.97-$209.33$139.97$209.33