AI00439
946135-52-0 | 1'-(tert-Butoxycarbonyl)-2-oxospiro[indoline-3,4'-piperidine]-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI00439
ChemicalName
1'-(tert-Butoxycarbonyl)-2-oxospiro[indoline-3,4'-piperidine]-5-carboxylic acid
CasNumber
946135-52-0
MolecularFormula
C18H22N2O5
MolecularWeight
346.3777
MdlNumber
MFCD12198583
Smiles
O=C(N1CCC2(CC1)C(=O)Nc1c2cc(cc1)C(=O)O)OC(C)(C)C
Complexity
575
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AI00439
ChemicalName: 1'-(tert-Butoxycarbonyl)-2-oxospiro[indoline-3,4'-piperidine]-5-carboxylic acid
CasNumber: 946135-52-0
MolecularFormula: C18H22N2O5
MolecularWeight: 346.3777
MdlNumber: MFCD12198583
Smiles: O=C(N1CCC2(CC1)C(=O)Nc1c2cc(cc1)C(=O)O)OC(C)(C)C
Complexity: 575
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI00439
ChemicalName:
1'-(tert-Butoxycarbonyl)-2-oxospiro[indoline-3,4'-piperidine]-5-carboxylic acid
CasNumber:
946135-52-0
MolecularFormula:
C18H22N2O5
MolecularWeight:
346.3777
MdlNumber:
MFCD12198583
Smiles:
O=C(N1CCC2(CC1)C(=O)Nc1c2cc(cc1)C(=O)O)OC(C)(C)C
Complexity:
575
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)Nc1ccncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)Nc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI00441
ChemicalName: Methyl 2-fluoro-3-nitrobenzoate
CasNumber: 946126-94-9
MolecularFormula: C8H6FNO4
MolecularWeight: 199.1359
MdlNumber: MFCD10566813
Smiles: COC(=O)c1cccc(c1F)[N+](=O)[O-]
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AI00441
ChemicalName:
Methyl 2-fluoro-3-nitrobenzoate
CasNumber:
946126-94-9
MolecularFormula:
C8H6FNO4
MolecularWeight:
199.1359
MdlNumber:
MFCD10566813
Smiles:
COC(=O)c1cccc(c1F)[N+](=O)[O-]
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: AI00442
ChemicalName: 2-Fluoro-4-methoxybenzonitrile
CasNumber: 94610-82-9
MolecularFormula: C8H6FNO
MolecularWeight: 151.1377432
MdlNumber: MFCD00509374
Smiles: COc1ccc(c(c1)F)C#N
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AI00442
ChemicalName:
2-Fluoro-4-methoxybenzonitrile
CasNumber:
94610-82-9
MolecularFormula:
C8H6FNO
MolecularWeight:
151.1377432
MdlNumber:
MFCD00509374
Smiles:
COc1ccc(c(c1)F)C#N
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.7