methyl 3-bromo-5-isopropylbenzoate

methyl 3-bromo-5-isopropylbenzoate

CAS: 1824056-61-2

Formula: C11H13BrO2

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

IUPAC: methyl 3-bromo-5-(propan-2-yl)benzoate

InChI: InChI=1S/C11H13BrO2/c1-7(2)8-4-9(11(13)14-3)6-10(12)5-8/h4-7H,1-3H3

Composition: C (51.38%), H (5.10%), Br (31.08%), O (12.44%)

Molar Mass: 257.127

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.009893
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ISLRAJZRPPGMFE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.9
Topological Polar Surface Area	26.3
Polarizability	22.99
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1824056-61-2		$334.73-$863.01$334.73$863.01