3-bromo-5-tert-butyl-2-hydroxybenzaldehyde

3-bromo-5-tert-butyl-2-hydroxybenzaldehyde

CAS: 119646-68-3

Formula: C11H13BrO2

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

IUPAC: 3-bromo-5-tert-butyl-2-hydroxybenzaldehyde

InChI: InChI=1S/C11H13BrO2/c1-11(2,3)8-4-7(6-13)10(14)9(12)5-8/h4-6,14H,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	2
Hydrogen Bond Donor Count	1
InChIKey	TUTMRJRVZVXKAM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.91
Topological Polar Surface Area	37.3
Polarizability	22.92
Ring Count	1
Rotatable Bond Count	2

Suppliers

Frinton Laboratories, Inc.

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<10 Days	119646-68-3		$58.50-$248.40$58.50$248.40

Crystalline powder

Key Organics Ltd

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	119646-68-3		$51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07