3-(2-bromophenyl)-2-hydroxypropanoic acid

3-(2-bromophenyl)-2-hydroxypropanoic acid

CAS: 917247-85-9

Formula: C9H9BrO3

SMILES: OC(CC1=CC=CC=C1Br)C(O)=O

IUPAC: 3-(2-bromophenyl)-2-hydroxypropanoic acid

InChI: InChI=1/C9H9BrO3/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8,11H,5H2,(H,12,13)

Composition: C (44.11%), H (3.70%), Br (32.60%), O (19.58%)

Molar Mass: 245.072

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	243.973507
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AYQJHOHINJJANF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.08
Topological Polar Surface Area	57.53
Polarizability	19.93
Ring Count	1
Rotatable Bond Count	3

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