Home Halogens methyl 3-(chloromethyl)-4-fluorobenzoate

methyl 3-(chloromethyl)-4-fluorobenzoate

CAS No.:
1211514-54-3
Catalog Number:
AG01BFVO
Molecular Formula:
C9H8ClFO2
Molecular Weight:
202.6100
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Product Description
Catalog Number:
AG01BFVO
Chemical Name:
methyl 3-(chloromethyl)-4-fluorobenzoate
CAS Number:
1211514-54-3
Molecular Formula:
C9H8ClFO2
Molecular Weight:
202.6100
MDL Number:
MFCD18459119
IUPAC Name:
methyl 3-(chloromethyl)-4-fluorobenzoate
InChI:
InChI=1S/C9H8ClFO2/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4H,5H2,1H3
InChI Key:
NLQDFKNBCFHDMM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)CCl)F
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.609g/mol
Monoisotopic Mass:
202.02g/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  
Properties