2-(3-bromophenyl)-2-oxoacetaldehyde hydrate

2-(3-bromophenyl)-2-oxoacetaldehyde hydrate

CAS: 106134-16-1

Formula: C8H7BrO3

SMILES: O.BrC1=CC(=CC=C1)C(=O)C=O

IUPAC: 2-(3-bromophenyl)-2-oxoacetaldehyde hydrate

InChI: InChI=1S/C8H5BrO2.H2O/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-5H;1H2

Composition: C (41.59%), H (3.05%), Br (34.58%), O (20.77%)

Molar Mass: 231.045

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.957857
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BSHAAODAJAWMNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.94
Topological Polar Surface Area	34.14
Polarizability	17.03
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	106134-16-1		$129.88-$631.76$129.88$206.80$631.76