Home Halogens methyl 2-chlorobenzo[d]oxazole-6-carboxylate

methyl 2-chlorobenzo[d]oxazole-6-carboxylate

CAS No.:
819076-91-0
Catalog Number:
AG00G8RX
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
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Product Description
Catalog Number:
AG00G8RX
Chemical Name:
methyl 2-chlorobenzo[d]oxazole-6-carboxylate
CAS Number:
819076-91-0
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
MDL Number:
MFCD20528144
IUPAC Name:
methyl 2-chloro-1,3-benzoxazole-6-carboxylate
InChI:
InChI=1S/C9H6ClNO3/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3
InChI Key:
ZZMHBFGSQVJSER-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(c1)oc(n2)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:
2.6  
Properties