3-bromo-4,5-dimethylphenol

3-bromo-4,5-dimethylphenol

CAS: 71942-14-8

Formula: C8H9BrO

SMILES: CC1=CC(O)=CC(Br)=C1C

IUPAC: 3-bromo-4,5-dimethylphenol

InChI: InChI=1S/C8H9BrO/c1-5-3-7(10)4-8(9)6(5)2/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	GJVYZGLNIKGKTE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.74
Topological Polar Surface Area	20.23
Polarizability	17.26
Ring Count	1
Rotatable Bond Count	0

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