Home Other Building Blocks 5-(3-AMINOPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER

5-(3-AMINOPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER

CAS No.:
54023-06-2
Catalog Number:
AG00DEJ8
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
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Product Description
Catalog Number:
AG00DEJ8
Chemical Name:
5-(3-AMINOPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
CAS Number:
54023-06-2
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD06739568
IUPAC Name:
methyl 5-(3-aminophenyl)furan-2-carboxylate
InChI:
InChI=1S/C12H11NO3/c1-15-12(14)11-6-5-10(16-11)8-3-2-4-9(13)7-8/h2-7H,13H2,1H3
InChI Key:
IZIZPLREWPTKFV-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)c1cccc(c1)N
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.074g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties