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Home Aldehydes 3-(Chloromethyl)-4-methoxybenzaldehyde

3-(Chloromethyl)-4-methoxybenzaldehyde

CAS No.:
52577-09-0
Catalog Number:
AG00DD6V
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
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Purity
Availability
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1g
95%
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United States
$96
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Product Description
Catalog Number:
AG00DD6V
Chemical Name:
3-(Chloromethyl)-4-methoxybenzaldehyde
CAS Number:
52577-09-0
Molecular Formula:
C9H9ClO2
Molecular Weight:
184.6196
MDL Number:
MFCD00995681
IUPAC Name:
3-(chloromethyl)-4-methoxybenzaldehyde
InChI:
InChI=1S/C9H9ClO2/c1-12-9-3-2-7(6-11)4-8(9)5-10/h2-4,6H,5H2,1H3
InChI Key:
LNKDOOILNUKDMI-UHFFFAOYSA-N
SMILES:
ClCc1cc(C=O)ccc1OC
EC Number:
258-015-5
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.619g/mol
Monoisotopic Mass:
184.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Identification of a chemical probe for NAADP by virtual screening. Nature chemical biology 20090401
Properties