AB48139
827026-45-9 | (3S)-3-(4-Nitro-1-oxo-1,3-dihydro-2h-isoindol-2-yl)piperidine-2,6-dione
Manufacturer: A2B Chem
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CatalogNumber
AB48139
ChemicalName
(3S)-3-(4-Nitro-1-oxo-1,3-dihydro-2h-isoindol-2-yl)piperidine-2,6-dione
CasNumber
827026-45-9
MolecularFormula
C13H11N3O5
MolecularWeight
289.2435
MdlNumber
MFCD07367595
Smiles
O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2[N+](=O)[O-]
Complexity
514
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AB48139
ChemicalName: (3S)-3-(4-Nitro-1-oxo-1,3-dihydro-2h-isoindol-2-yl)piperidine-2,6-dione
CasNumber: 827026-45-9
MolecularFormula: C13H11N3O5
MolecularWeight: 289.2435
MdlNumber: MFCD07367595
Smiles: O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2[N+](=O)[O-]
Complexity: 514
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AB48139
ChemicalName:
(3S)-3-(4-Nitro-1-oxo-1,3-dihydro-2h-isoindol-2-yl)piperidine-2,6-dione
CasNumber:
827026-45-9
MolecularFormula:
C13H11N3O5
MolecularWeight:
289.2435
MdlNumber:
MFCD07367595
Smiles:
O=C1CCC(C(=O)N1)N1Cc2c(C1=O)cccc2[N+](=O)[O-]
Complexity:
514
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: AB48140
ChemicalName: Boc-3,4-dichloro-l-phenylalanine
CasNumber: 80741-39-5
MolecularFormula: C14H17Cl2NO4
MolecularWeight: 334.1951
MdlNumber: MFCD00273436
Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)Cl)Cl
Complexity: 384
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB48140
ChemicalName:
Boc-3,4-dichloro-l-phenylalanine
CasNumber:
80741-39-5
MolecularFormula:
C14H17Cl2NO4
MolecularWeight:
334.1951
MdlNumber:
MFCD00273436
Smiles:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)Cl)Cl
Complexity:
384
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
CatalogNumber: AB48141
ChemicalName: Methyl 2-chloro-5-iodonicotinate
CasNumber: 78686-83-6
MolecularFormula: C7H5ClINO2
MolecularWeight: 297.4776
MdlNumber: MFCD06659607
Smiles: COC(=O)c1cc(I)cnc1Cl
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AB48141
ChemicalName:
Methyl 2-chloro-5-iodonicotinate
CasNumber:
78686-83-6
MolecularFormula:
C7H5ClINO2
MolecularWeight:
297.4776
MdlNumber:
MFCD06659607
Smiles:
COC(=O)c1cc(I)cnc1Cl
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCNC(=O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCNC(=O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__