Home Halogens methyl 4-(3,4-dichlorophenyl)butanoate

methyl 4-(3,4-dichlorophenyl)butanoate

CAS No.:
1368308-27-3
Catalog Number:
AG01A6QF
Molecular Formula:
C11H12Cl2O2
Molecular Weight:
247.1178
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Product Description
Catalog Number:
AG01A6QF
Chemical Name:
methyl 4-(3,4-dichlorophenyl)butanoate
CAS Number:
1368308-27-3
Molecular Formula:
C11H12Cl2O2
Molecular Weight:
247.1178
MDL Number:
MFCD22016557
IUPAC Name:
methyl 4-(3,4-dichlorophenyl)butanoate
InChI:
InChI=1S/C11H12Cl2O2/c1-15-11(14)4-2-3-8-5-6-9(12)10(13)7-8/h5-7H,2-4H2,1H3
InChI Key:
LZOFSZPLOMWNCR-UHFFFAOYSA-N
SMILES:
COC(=O)CCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.021g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.115g/mol
Monoisotopic Mass:
246.021g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties