AB66894
1099609-12-7 | 4-Bromo-2-pyrrolidinobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66894
ChemicalName
4-Bromo-2-pyrrolidinobenzoic acid
CasNumber
1099609-12-7
MolecularFormula
C11H12BrNO2
MolecularWeight
270.1225
MdlNumber
MFCD11651817
Smiles
OC(=O)c1ccc(cc1N1CCCC1)Br
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AB66894
ChemicalName: 4-Bromo-2-pyrrolidinobenzoic acid
CasNumber: 1099609-12-7
MolecularFormula: C11H12BrNO2
MolecularWeight: 270.1225
MdlNumber: MFCD11651817
Smiles: OC(=O)c1ccc(cc1N1CCCC1)Br
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB66894
ChemicalName:
4-Bromo-2-pyrrolidinobenzoic acid
CasNumber:
1099609-12-7
MolecularFormula:
C11H12BrNO2
MolecularWeight:
270.1225
MdlNumber:
MFCD11651817
Smiles:
OC(=O)c1ccc(cc1N1CCCC1)Br
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
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MolecularFormula: __
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Smiles: C1=CC(=C(C=C1Br)C(F)(F)F)N=C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
C1=CC(=C(C=C1Br)C(F)(F)F)N=C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: CC(=O)Nc1ccc(c(c1)C(F)(F)F)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)Nc1ccc(c(c1)C(F)(F)F)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: Brc1ccc(cc1C(F)(F)F)S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1C(F)(F)F)S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__