3-(4-Bromophenoxy)propanoic acid

HCID 7472034CAS 93670-18-9

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Basic information

Standard SMILES: O=C(O)CCOc1ccc(Br)cc1
InChIKey: IGFOICGMVYKSCD-UHFFFAOYSA-N
Molecular formula: C9H9BrO3
Average molar mass: 245.07 g/mol
Monoisotopic mass: 243.97350625

Names & identifiers

Preferred name: 3-(4-Bromophenoxy)propanoic acid
IUPAC: 3-(4-bromophenoxy)propanoic acid
English name: 3-(4-Bromophenoxy)propanoic acid
Molecular formula: C9H9BrO3
Molecular weight: 245.07

Names & synonyms

3-(4-bromophenoxy)propanoic acid93670-18-9MFCD022957273-(4-bromophenoxy)propanoicacidPropanoic acid, 3-(4-bromophenoxy)-AN-829/13156514SCHEMBL1822418AKOS BBV-013184DTXSID50428679BUTTPARK 35\07-94IGFOICGMVYKSCD-UHFFFAOYSA-NTDA67018

Show more names

SBB099941AKOS0001317183-(4-Bromophenoxy)propanoic acid 98%OTAVA-BB 7020662864NCGC00336795-01AS-61073DA-25207SY123396

Database identifiers

CAS: 93670-18-9
PubChem CID: 7472034
DTXSID: DTXSID50428679

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 164

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
HS Code: 2918999090 · 2918999090