Home Halogens methyl 5-chloro-3-formyl-2-hydroxybenzoate

methyl 5-chloro-3-formyl-2-hydroxybenzoate

CAS No.:
87633-23-6
Catalog Number:
AG01BR46
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
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Product Description
Catalog Number:
AG01BR46
Chemical Name:
methyl 5-chloro-3-formyl-2-hydroxybenzoate
CAS Number:
87633-23-6
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD23705591
IUPAC Name:
methyl 5-chloro-3-formyl-2-hydroxybenzoate
InChI:
InChI=1S/C9H7ClO4/c1-14-9(13)7-3-6(10)2-5(4-11)8(7)12/h2-4,12H,1H3
InChI Key:
BKMPCMXOQXGTJN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc(c1O)C=O
Properties
Complexity:
231  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.601g/mol
Monoisotopic Mass:
214.003g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties