Home Aminos Benzoic acid, 2-[(2-furanylmethyl)amino]-

Benzoic acid, 2-[(2-furanylmethyl)amino]-

CAS No.:
501661-50-3
Catalog Number:
AG00I8YQ
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
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Product Description
Catalog Number:
AG00I8YQ
Chemical Name:
Benzoic acid, 2-[(2-furanylmethyl)amino]-
CAS Number:
501661-50-3
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD01025564
IUPAC Name:
2-(furan-2-ylmethylamino)benzoic acid
InChI:
InChI=1S/C12H11NO3/c14-12(15)10-5-1-2-6-11(10)13-8-9-4-3-7-16-9/h1-7,13H,8H2,(H,14,15)
InChI Key:
CKOPWCOBXHDAOZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1NCc1ccco1
NSC Number:
331931
Properties
Complexity:
244  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
217.224g/mol
Monoisotopic Mass:
217.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties