AB52205
71257-38-0 | 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine
Manufacturer: A2B Chem
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CatalogNumber
AB52205
ChemicalName
1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine
CasNumber
71257-38-0
MolecularFormula
C7H10N2
MolecularWeight
122.1677
MdlNumber
MFCD00296976
Smiles
N1CCn2c(C1)ccc2
Complexity
103
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
-0.2
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CatalogNumber: AB52205
ChemicalName: 1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine
CasNumber: 71257-38-0
MolecularFormula: C7H10N2
MolecularWeight: 122.1677
MdlNumber: MFCD00296976
Smiles: N1CCn2c(C1)ccc2
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.2
CatalogNumber:
AB52205
ChemicalName:
1,2,3,4-Tetrahydropyrrolo[1,2-a]pyrazine
CasNumber:
71257-38-0
MolecularFormula:
C7H10N2
MolecularWeight:
122.1677
MdlNumber:
MFCD00296976
Smiles:
N1CCn2c(C1)ccc2
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.2
CatalogNumber: AB52206
ChemicalName: N-BOC-Piperidine-4-thiocarboxamide
CasNumber: 214834-18-1
MolecularFormula: C11H20N2O2S
MolecularWeight: 244.3537
MdlNumber: MFCD02180954
Smiles: O=C(N1CCC(CC1)C(=S)N)OC(C)(C)C
Complexity: 278
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
AB52206
ChemicalName:
N-BOC-Piperidine-4-thiocarboxamide
CasNumber:
214834-18-1
MolecularFormula:
C11H20N2O2S
MolecularWeight:
244.3537
MdlNumber:
MFCD02180954
Smiles:
O=C(N1CCC(CC1)C(=S)N)OC(C)(C)C
Complexity:
278
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1
CatalogNumber: AB52207
ChemicalName: 4-Hydroxy-5-methoxy-2-nitro-benzoic acid methyl ester
CasNumber: 27883-60-9
MolecularFormula: C9H9NO6
MolecularWeight: 227.1709
MdlNumber: MFCD09833001
Smiles: COC(=O)c1cc(OC)c(cc1[N+](=O)[O-])O
Complexity: 276
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 1.2
CatalogNumber:
AB52207
ChemicalName:
4-Hydroxy-5-methoxy-2-nitro-benzoic acid methyl ester
CasNumber:
27883-60-9
MolecularFormula:
C9H9NO6
MolecularWeight:
227.1709
MdlNumber:
MFCD09833001
Smiles:
COC(=O)c1cc(OC)c(cc1[N+](=O)[O-])O
Complexity:
276
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
Complexity: 451
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)c1oc2cc(O)cc(c2c(=O)c1O)O
Complexity:
451
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9