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4'-Bromovalerophenone

Catalog Number
ACM7295445
CAS Number
7295-44-5
Product Name
4'-Bromovalerophenone
Structure
Category
Liquid Crystal (LC) Building Blocks
IUPAC Name
1-(4-bromophenyl)pentan-1-one
Molecular Weight
241.12g/mol
Molecular Formula
C11H13BrO
Canonical SMILES
CCCCC(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3
InChI Key
STYJKBMRWQQJIS-UHFFFAOYSA-N
Complexity
160
Covalently-Bonded Unit Count
1
EC Number
230-729-1
Exact Mass
240.01498g/mol
Formal Charge
0
Heavy Atom Count
13
Monoisotopic Mass
240.01498g/mol
NSC Number
76560
Rotatable Bond Count
4
XLogP3
3.7
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