| CAS Number | 183871-04-7 |
| Catalog Number | AG00BAT7(AGN-PC-0NC15A) |
| Chemical Name | 2-(Fmoc-amino)-5-bromobenzoic acid |
| IUPAC Name | 5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic acid |
| InChI | InChI=1S/C22H16BrNO4/c23-13-9-10-20(18(11-13)21(25)26)24-22(27)28-12-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,19H,12H2,(H,24,27)(H,25,26) |
| InChI Key | DJPIQOAAQHUHOB-UHFFFAOYSA-N |
| MDL Number | MFCD02682151 |
| Molecular Formula | C22H16BrNO4 |
| Molecular Weight | 438.2707 |
| SMILES | O=C(O)C1=CC(Br)=CC=C1NC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O |
| Synonyms | 183871-04-7,
2-(Fmoc-amino)-5-bromobenzoic Acid,
2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-bromobenzoic acid,
5-bromo-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}benzoic acid,
ZINC2582906,
6174AD,
AKOS012712307,
AJ-43155,
SY015597,
TC-306871,
TR-061989,
FT-0735261,
Fmoc-2-amino-5-bromobenzoic acid, AldrichCPR,
MFCD02682151 (95%),
Fmoc-2-amino-5-bromobenzoic acid,
C22H16BrNO4,
DJPIQOAAQHUHOB-UHFFFAOYSA-N,
CID10873832,
5-bromo-2-(9H-fluoren-9-ylmethoxycarbonylamino)benzoic Acid,
380605-29-8,
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| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 437.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.277g/mol |
| Monoisotopic Mass | 437.026g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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