AE97501
154972-37-9 | tert-Butyl tetrahydro-1(2h)-pyridazinecarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE97501
ChemicalName
tert-Butyl tetrahydro-1(2h)-pyridazinecarboxylate
CasNumber
154972-37-9
MolecularFormula
C9H18N2O2
MolecularWeight
186.2514
MdlNumber
MFCD09152721
Smiles
O=C(N1CCCCN1)OC(C)(C)C
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AE97501
ChemicalName: tert-Butyl tetrahydro-1(2h)-pyridazinecarboxylate
CasNumber: 154972-37-9
MolecularFormula: C9H18N2O2
MolecularWeight: 186.2514
MdlNumber: MFCD09152721
Smiles: O=C(N1CCCCN1)OC(C)(C)C
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AE97501
ChemicalName:
tert-Butyl tetrahydro-1(2h)-pyridazinecarboxylate
CasNumber:
154972-37-9
MolecularFormula:
C9H18N2O2
MolecularWeight:
186.2514
MdlNumber:
MFCD09152721
Smiles:
O=C(N1CCCCN1)OC(C)(C)C
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.4
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Smiles: COc1ccc(cc1)n1ccc(=O)[nH]1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
COc1ccc(cc1)n1ccc(=O)[nH]1
Complexity:
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RotatableBondCount:
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Smiles: FC(c1cc(nn1C)N)(F)F
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Smiles:
FC(c1cc(nn1C)N)(F)F
Complexity:
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: Cc1cccc(c1)N(c1cccc(c1)C)c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)N(c1cccc(c1)C)c1cccc(c1)C)c1ccccc1
Complexity: __
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HydrogenBondDonorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1cccc(c1)N(c1cccc(c1)C)c1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(cc1)N(c1ccc(cc1)N(c1cccc(c1)C)c1cccc(c1)C)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__