Home Halogens Methyl 5-chlorobenzo[d]oxazole-2-carboxylate

Methyl 5-chlorobenzo[d]oxazole-2-carboxylate

CAS No.:
27383-92-2
Catalog Number:
AG007L55
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
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Product Description
Catalog Number:
AG007L55
Chemical Name:
Methyl 5-chlorobenzo[d]oxazole-2-carboxylate
CAS Number:
27383-92-2
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
MDL Number:
MFCD09701307
IUPAC Name:
methyl 5-chloro-1,3-benzoxazole-2-carboxylate
InChI:
InChI=1S/C9H6ClNO3/c1-13-9(12)8-11-6-4-5(10)2-3-7(6)14-8/h2-4H,1H3
InChI Key:
BZEDFEOWFUPXIA-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(o1)ccc(c2)Cl
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.601g/mol
Monoisotopic Mass:
211.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties