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1465327-51-8 | Benzoic acid, 3-chloro-4-formyl-, ethyl ester
CAS No: 1465327-51-8 Catalog No: AG001E39 MDL No:MFCD21603681
Product Description
Catalog Number:
AG001E39
Chemical Name:
Benzoic acid, 3-chloro-4-formyl-, ethyl ester
CAS Number:
1465327-51-8
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
MDL Number:
MFCD21603681
IUPAC Name:
ethyl 3-chloro-4-formylbenzoate
InChI:
InChI=1S/C10H9ClO3/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-6H,2H2,1H3
InChI Key:
YOTMXQXNGDJWDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Cl)C=O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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