AE62729
1393442-38-0 | 3-(4-Iodopyrazol-1-yl)piperidine, HCl
Manufacturer: A2B Chem
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CatalogNumber
AE62729
ChemicalName
3-(4-Iodopyrazol-1-yl)piperidine, HCl
CasNumber
1393442-38-0
MolecularFormula
C8H13ClIN3
MolecularWeight
313.5664
MdlNumber
MFCD22383696
Smiles
Ic1cnn(c1)C1CCCNC1.Cl
Complexity
153
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
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CatalogNumber: AE62729
ChemicalName: 3-(4-Iodopyrazol-1-yl)piperidine, HCl
CasNumber: 1393442-38-0
MolecularFormula: C8H13ClIN3
MolecularWeight: 313.5664
MdlNumber: MFCD22383696
Smiles: Ic1cnn(c1)C1CCCNC1.Cl
Complexity: 153
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AE62729
ChemicalName:
3-(4-Iodopyrazol-1-yl)piperidine, HCl
CasNumber:
1393442-38-0
MolecularFormula:
C8H13ClIN3
MolecularWeight:
313.5664
MdlNumber:
MFCD22383696
Smiles:
Ic1cnn(c1)C1CCCNC1.Cl
Complexity:
153
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)CN1CCCOC1=O
Complexity: 257
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)CN1CCCOC1=O
Complexity:
257
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1CCC(=NNS(=O)(=O)c2c(C)cc(cc2C)C)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1CCC(=NNS(=O)(=O)c2c(C)cc(cc2C)C)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: AE62733
ChemicalName: 2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline
CasNumber: 1420800-34-5
MolecularFormula: C9H12N2O4S
MolecularWeight: 244.2676
MdlNumber: MFCD22689111
Smiles: CN(c1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
CatalogNumber:
AE62733
ChemicalName:
2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline
CasNumber:
1420800-34-5
MolecularFormula:
C9H12N2O4S
MolecularWeight:
244.2676
MdlNumber:
MFCD22689111
Smiles:
CN(c1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__