methyl 2-bromo-3-methoxypropanoate

methyl 2-bromo-3-methoxypropanoate

CAS: 27704-96-7

Formula: C5H9BrO3

SMILES: COCC(Br)C(=O)OC

IUPAC: methyl 2-bromo-3-methoxypropanoate

InChI: InChI=1/C5H9BrO3/c1-8-3-4(6)5(7)9-2/h4H,3H2,1-2H3

Composition: C (30.48%), H (4.60%), Br (40.55%), O (24.36%)

Molar Mass: 197.028

Atom Count: 18

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	195.973507
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NVBLRKGCQVZDMQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.94
Topological Polar Surface Area	35.53
Polarizability	14.44
Ring Count	0
Rotatable Bond Count	4

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