methyl (3E)-4-(4-bromophenyl)-2-oxobut-3-enoate

methyl (3E)-4-(4-bromophenyl)-2-oxobut-3-enoate

CAS: 608128-34-3

Formula: C11H9BrO3

SMILES: COC(=O)C(=O)C=CC1=CC=C(Br)C=C1

IUPAC: methyl (3E)-4-(4-bromophenyl)-2-oxobut-3-enoate

InChI: InChI=1S/C11H9BrO3/c1-15-11(14)10(13)7-4-8-2-5-9(12)6-3-8/h2-7H,1H3/b7-4+

Composition: C (49.10%), H (3.37%), Br (29.69%), O (17.84%)

Molar Mass: 269.094

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.973507
Formal Charge	0
FSP3	0.09
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OEKODHJXUIKZME-QPJJXVBHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.8
Topological Polar Surface Area	43.37
Polarizability	22.99
Ring Count	1
Rotatable Bond Count	4

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