857814-35-8
2-[(3-BROMOPHENYL)METHYL]HEXANOIC ACID
Name
2-[(3-BROMOPHENYL)METHYL]HEXANOIC ACID
Formula
C13 H17 Br O2
MolWeight
285.179
1Identification
【Name】
2-[(3-BROMOPHENYL)METHYL]HEXANOIC ACID
【CAS】
【MDL】
MFCD12152856
【English Synonyms】
【Formula】
C13 H17 Br O2
【MolWeight】
285.179
【Inchi】
InChI=1S/C13H17BrO2/c1-2-3-6-11(13(15)16)8-10-5-4-7-12(14)9-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,15,16)
【InChIKey】
InChIKey=AGGIUPSEBXNYMV-UHFFFAOYSA-N
【SMILES】
CCCCC(Cc1cccc(c1)Br)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(3-BROMOPHENYL)METHYL]HEXANOIC ACID.cml
Quick Release
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Aldlab Chemicals, LLC
Catalog No:A212150 5G
Country/Region:United States
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Catalog No:A212150 5G
Country/Region:United States
Business Type:Others
http://www.aldlab.com
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