2-bromo-3,5-dimethylphenol

2-bromo-3,5-dimethylphenol

CAS: 125237-08-3

Formula: C8H9BrO

SMILES: CC1=CC(C)=C(Br)C(O)=C1

IUPAC: 2-bromo-3,5-dimethylphenol

InChI: InChI=1S/C8H9BrO/c1-5-3-6(2)8(9)7(10)4-5/h3-4,10H,1-2H3

Composition: C (47.79%), H (4.51%), Br (39.74%), O (7.96%)

Molar Mass: 201.063

Atom Count: 19

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.983678
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	FLGMCSGCDWVXMR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.74
Topological Polar Surface Area	20.23
Polarizability	17.27
Ring Count	1
Rotatable Bond Count	0

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