Home Other Building Blocks 6-CHLORO-2-FORMYL-3-HYDROXY-BENZOIC ACID METHYL ESTER

6-CHLORO-2-FORMYL-3-HYDROXY-BENZOIC ACID METHYL ESTER

CAS No.:
1427373-63-4
Catalog Number:
AG01DW1C
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
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Product Description
Catalog Number:
AG01DW1C
Chemical Name:
6-CHLORO-2-FORMYL-3-HYDROXY-BENZOIC ACID METHYL ESTER
CAS Number:
1427373-63-4
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD23705590
IUPAC Name:
methyl 6-chloro-2-formyl-3-hydroxybenzoate
InChI:
InChI=1S/C9H7ClO4/c1-14-9(13)8-5(4-11)7(12)3-2-6(8)10/h2-4,12H,1H3
InChI Key:
ZUUJIDUPNJFHOH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)ccc(c1C=O)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