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1261541-73-4 | Benzoic acid, 2-chloro-3,4-difluoro-, ethyl ester
CAS No: 1261541-73-4 Catalog No: AG000RUD MDL No:MFCD18416422
Product Description
Catalog Number:
AG000RUD
Chemical Name:
Benzoic acid, 2-chloro-3,4-difluoro-, ethyl ester
CAS Number:
1261541-73-4
Molecular Formula:
C9H7ClF2O2
Molecular Weight:
220.6005
MDL Number:
MFCD18416422
IUPAC Name:
ethyl 2-chloro-3,4-difluorobenzoate
InChI:
InChI=1S/C9H7ClF2O2/c1-2-14-9(13)5-3-4-6(11)8(12)7(5)10/h3-4H,2H2,1H3
InChI Key:
XXZSZRJZNNJKFL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1Cl)F)F
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.6g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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