Home Halogens Methyl 4-chloro-3-formylbenzoate

Methyl 4-chloro-3-formylbenzoate

CAS No.:
1044920-98-0
Catalog Number:
AG008Z41
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
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Product Description
Catalog Number:
AG008Z41
Chemical Name:
Methyl 4-chloro-3-formylbenzoate
CAS Number:
1044920-98-0
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD16036863
IUPAC Name:
methyl 4-chloro-3-formylbenzoate
InChI:
InChI=1S/C9H7ClO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-5H,1H3
InChI Key:
SCKJKFNMDKHELA-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C=O)Cl
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties