Home Carbonyls 3-[(9-Fluorenylmethyloxycarbonyl)amino]-4-(aminomethyl)benzoic acid

3-[(9-Fluorenylmethyloxycarbonyl)amino]-4-(aminomethyl)benzoic acid

CAS No.:
1788861-35-7
Catalog Number:
AG00VQIV
Molecular Formula:
C23H20N2O4
Molecular Weight:
388.4159
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Product Description
Catalog Number:
AG00VQIV
Chemical Name:
3-[(9-Fluorenylmethyloxycarbonyl)amino]-4-(aminomethyl)benzoic acid
CAS Number:
1788861-35-7
Molecular Formula:
C23H20N2O4
Molecular Weight:
388.4159
MDL Number:
MFCD31380681
IUPAC Name:
3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(methylamino)benzoic acid
InChI:
InChI=1S/C23H20N2O4/c1-24-20-11-10-14(22(26)27)12-21(20)25-23(28)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-12,19,24H,13H2,1H3,(H,25,28)(H,26,27)
InChI Key:
YIRHQVZRKURGRG-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1NC(=O)OCC1c2ccccc2c2c1cccc2)C(=O)O C23H20N2O4
Properties
Complexity:
575  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.142g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
388.423g/mol
Monoisotopic Mass:
388.142g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties