| CAS Number | 1427501-69-6 |
| Catalog Number | AG00HWM5(AGN-PC-0WCYM0) |
| Chemical Name | 2-(BOC-AMINO)-5-CHLORO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLIC ACID |
| IUPAC Name | 5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylic acid |
| InChI | InChI=1S/C15H18ClNO4/c1-14(2,3)21-13(20)17-15(12(18)19)7-9-4-5-11(16)6-10(9)8-15/h4-6H,7-8H2,1-3H3,(H,17,20)(H,18,19) |
| InChI Key | ZIVWELCPNMCVLQ-UHFFFAOYSA-N |
| MDL Number | MFCD23703186 |
| Molecular Formula | C15H18ClNO4 |
| Molecular Weight | 311.7607 |
| SMILES | CC(OC(NC1(C(O)=O)CC2=C(C=CC(=C2)Cl)C1)=O)(C)C |
| Synonyms | 1427501-69-6,
2-(BOC-AMINO)-5-CHLORO-2,3-DIHYDRO-1H-INDENE-2-CARBOXYLIC ACID,
2-((tert-Butoxycarbonyl)amino)-5-chloro-2,3-dihydro-1H-indene-2-carboxylic acid,
MFCD23703186,
AKOS027329025,
AS-36165,
BBV-45990634,
AX8266621,
X-2811,
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| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.762g/mol |
| Monoisotopic Mass | 311.092g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number