AD61590
196106-96-4 | 4-Bromo-1H-pyrrole-2-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AD61590
ChemicalName
4-Bromo-1H-pyrrole-2-carboxamide
CasNumber
196106-96-4
MolecularFormula
C5H5BrN2O
MolecularWeight
189.01
MdlNumber
MFCD11504939
Smiles
NC(=O)c1cc(c[nH]1)Br
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.6
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CatalogNumber: AD61590
ChemicalName: 4-Bromo-1H-pyrrole-2-carboxamide
CasNumber: 196106-96-4
MolecularFormula: C5H5BrN2O
MolecularWeight: 189.01
MdlNumber: MFCD11504939
Smiles: NC(=O)c1cc(c[nH]1)Br
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AD61590
ChemicalName:
4-Bromo-1H-pyrrole-2-carboxamide
CasNumber:
196106-96-4
MolecularFormula:
C5H5BrN2O
MolecularWeight:
189.01
MdlNumber:
MFCD11504939
Smiles:
NC(=O)c1cc(c[nH]1)Br
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC[C@H]1C[C@@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC[C@H]1C[C@@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC[C@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC[C@H]1C[C@H](CC(=O)OC(C)(C)C)OC(O1)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD61594
ChemicalName: 2,5-Bis(trifluoromethyl)phenylboronic acid
CasNumber: 196083-18-8
MolecularFormula: C8H5BF6O2
MolecularWeight: 257.9255
MdlNumber: MFCD04038223
Smiles: OB(c1cc(ccc1C(F)(F)F)C(F)(F)F)O
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AD61594
ChemicalName:
2,5-Bis(trifluoromethyl)phenylboronic acid
CasNumber:
196083-18-8
MolecularFormula:
C8H5BF6O2
MolecularWeight:
257.9255
MdlNumber:
MFCD04038223
Smiles:
OB(c1cc(ccc1C(F)(F)F)C(F)(F)F)O
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__