AB50325
252932-48-2 | Ethyl 3-amino-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB50325
ChemicalName
Ethyl 3-amino-1H-pyrrole-2-carboxylate
CasNumber
252932-48-2
MolecularFormula
C7H10N2O2
MolecularWeight
154.1665
MdlNumber
MFCD06797655
Smiles
CCOC(=O)c1[nH]ccc1N
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.1
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CatalogNumber: AB50325
ChemicalName: Ethyl 3-amino-1H-pyrrole-2-carboxylate
CasNumber: 252932-48-2
MolecularFormula: C7H10N2O2
MolecularWeight: 154.1665
MdlNumber: MFCD06797655
Smiles: CCOC(=O)c1[nH]ccc1N
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.1
CatalogNumber:
AB50325
ChemicalName:
Ethyl 3-amino-1H-pyrrole-2-carboxylate
CasNumber:
252932-48-2
MolecularFormula:
C7H10N2O2
MolecularWeight:
154.1665
MdlNumber:
MFCD06797655
Smiles:
CCOC(=O)c1[nH]ccc1N
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.1
CatalogNumber: AB50326
ChemicalName: Chir-99021
CasNumber: 252917-06-9
MolecularFormula: C22H18Cl2N8
MolecularWeight: 465.3379
MdlNumber: MFCD11846251
Smiles: N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1[nH]cc(n1)C
Complexity: 645
Covalently-bondedUnitCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 7
Xlogp3: 4.3
CatalogNumber:
AB50326
ChemicalName:
Chir-99021
CasNumber:
252917-06-9
MolecularFormula:
C22H18Cl2N8
MolecularWeight:
465.3379
MdlNumber:
MFCD11846251
Smiles:
N#Cc1ccc(nc1)NCCNc1ncc(c(n1)c1ccc(cc1Cl)Cl)c1[nH]cc(n1)C
Complexity:
645
Covalently-bondedUnitCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
7
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCOP(=O)(Oc1ccccc1)OCCCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCOP(=O)(Oc1ccccc1)OCCCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB50328
ChemicalName: 4-Bromo-isothiazole
CasNumber: 24340-77-0
MolecularFormula: C3H2BrNS
MolecularWeight: 164.0237
MdlNumber: MFCD06657593
Smiles: Brc1csnc1
Complexity: 50.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AB50328
ChemicalName:
4-Bromo-isothiazole
CasNumber:
24340-77-0
MolecularFormula:
C3H2BrNS
MolecularWeight:
164.0237
MdlNumber:
MFCD06657593
Smiles:
Brc1csnc1
Complexity:
50.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7