methyl (2E)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

methyl (2E)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

CAS: 117428-49-6

Formula: C12H13BrO3

SMILES: COC=C(C(=O)OC)C1=CC=CC=C1CBr

IUPAC: methyl (2E)-2-[2-(bromomethyl)phenyl]-3-methoxyprop-2-enoate

InChI: InChI=1S/C12H13BrO3/c1-15-8-11(12(14)16-2)10-6-4-3-5-9(10)7-13/h3-6,8H,7H2,1-2H3/b11-8+

Composition: C (50.55%), H (4.60%), Br (28.02%), O (16.83%)

Molar Mass: 285.137

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	284.004807
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MGUDGDSNHPKOLL-DHZHZOJOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.09
Topological Polar Surface Area	35.53
Polarizability	25.3
Ring Count	1
Rotatable Bond Count	5

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