Home Halogens methyl 3-chloro-5-(hydroxymethyl)benzoate

methyl 3-chloro-5-(hydroxymethyl)benzoate

CAS No.:
153203-58-8
Catalog Number:
AG00HY45
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
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Product Description
Catalog Number:
AG00HY45
Chemical Name:
methyl 3-chloro-5-(hydroxymethyl)benzoate
CAS Number:
153203-58-8
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD20483419
IUPAC Name:
methyl 3-chloro-5-(hydroxymethyl)benzoate
InChI:
InChI=1S/C9H9ClO3/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4,11H,5H2,1H3
InChI Key:
CBNLMDHBNUIUHS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(CO)cc(c1)Cl
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties