AD48055
149968-28-5 | 2-Butyl-5-chloro-1H-imidazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AD48055
ChemicalName
2-Butyl-5-chloro-1H-imidazole-4-carboxylic acid
CasNumber
149968-28-5
MolecularFormula
C8H11ClN2O2
MolecularWeight
202.6381
MdlNumber
MFCD28396255
Smiles
CCCCc1nc(c([nH]1)Cl)C(=O)O
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.6
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CatalogNumber: AD48055
ChemicalName: 2-Butyl-5-chloro-1H-imidazole-4-carboxylic acid
CasNumber: 149968-28-5
MolecularFormula: C8H11ClN2O2
MolecularWeight: 202.6381
MdlNumber: MFCD28396255
Smiles: CCCCc1nc(c([nH]1)Cl)C(=O)O
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AD48055
ChemicalName:
2-Butyl-5-chloro-1H-imidazole-4-carboxylic acid
CasNumber:
149968-28-5
MolecularFormula:
C8H11ClN2O2
MolecularWeight:
202.6381
MdlNumber:
MFCD28396255
Smiles:
CCCCc1nc(c([nH]1)Cl)C(=O)O
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)[C@@H]1C[C@H](CN1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)[C@@H]1C[C@H](CN1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(c1ccccc1)C(=O)Nc1ccc(cc1F)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(c1ccccc1)C(=O)Nc1ccc(cc1F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1)C(=O)NC1CCCC1
Complexity: 226
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cccc(c1)C(=O)NC1CCCC1
Complexity:
226
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2