PHENOL, 2-BROMO-4-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U7N9MXC7HG
EPA CompTox DTXSID8074574

Structure

InChI Key MTIDYGLTAOZOGU-UHFFFAOYSA-N
Smiles Cc1cc(Br)c(O)cc1
InChI
InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H7Br1O1
Molecular Weight 185.97
AlogP 2.46
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 6627-55-0
NORMAN SUSDAT
FDA SRS U7N9MXC7HG
PubChem 23109
ChemSpider 21627.0
CONTENTS