AE25602
117657-40-6 | 1-(tert-Butoxycarbonyl)-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AE25602
ChemicalName
1-(tert-Butoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CasNumber
117657-40-6
MolecularFormula
C10H13NO4
MolecularWeight
211.2145
MdlNumber
MFCD02094480
Smiles
OC(=O)c1cccn1C(=O)OC(C)(C)C
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.8
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CatalogNumber: AE25602
ChemicalName: 1-(tert-Butoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CasNumber: 117657-40-6
MolecularFormula: C10H13NO4
MolecularWeight: 211.2145
MdlNumber: MFCD02094480
Smiles: OC(=O)c1cccn1C(=O)OC(C)(C)C
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.8
CatalogNumber:
AE25602
ChemicalName:
1-(tert-Butoxycarbonyl)-1h-pyrrole-2-carboxylic acid
CasNumber:
117657-40-6
MolecularFormula:
C10H13NO4
MolecularWeight:
211.2145
MdlNumber:
MFCD02094480
Smiles:
OC(=O)c1cccn1C(=O)OC(C)(C)C
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCCCOc1ccc(c(c1)F)B(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCCCOc1ccc(c(c1)F)B(O)O
Complexity:
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Brc1cn2cc(nc2c(n1)Br)C(F)(F)F
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
Brc1cn2cc(nc2c(n1)Br)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CCc1cc(F)ccc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CCc1cc(F)ccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__