AB55009
941294-20-8 | 1-(3-Bromo-5-nitrobenzoyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AB55009
ChemicalName
1-(3-Bromo-5-nitrobenzoyl)pyrrolidine
CasNumber
941294-20-8
MolecularFormula
C11H11BrN2O3
MolecularWeight
299.1206
MdlNumber
MFCD09475861
Smiles
Brc1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCC1
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB55009
ChemicalName: 1-(3-Bromo-5-nitrobenzoyl)pyrrolidine
CasNumber: 941294-20-8
MolecularFormula: C11H11BrN2O3
MolecularWeight: 299.1206
MdlNumber: MFCD09475861
Smiles: Brc1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCC1
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB55009
ChemicalName:
1-(3-Bromo-5-nitrobenzoyl)pyrrolidine
CasNumber:
941294-20-8
MolecularFormula:
C11H11BrN2O3
MolecularWeight:
299.1206
MdlNumber:
MFCD09475861
Smiles:
Brc1cc(cc(c1)[N+](=O)[O-])C(=O)N1CCCC1
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNCc1cccc(c1)Br
Complexity: 95.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCc1cccc(c1)Br
Complexity:
95.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AB55011
ChemicalName: (3-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
CasNumber: 1073354-06-9
MolecularFormula: C14H17BBrF3O3
MolecularWeight: 380.9932
MdlNumber: MFCD11504969
Smiles: BrCc1cc(ccc1OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AB55011
ChemicalName:
(3-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
CasNumber:
1073354-06-9
MolecularFormula:
C14H17BBrF3O3
MolecularWeight:
380.9932
MdlNumber:
MFCD11504969
Smiles:
BrCc1cc(ccc1OC(F)(F)F)B1OC(C(O1)(C)C)(C)C
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(S(=O)(=O)[O-])(F)F.Brc1cccc(c1)[I+]c1c(C)cc(cc1C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(S(=O)(=O)[O-])(F)F.Brc1cccc(c1)[I+]c1c(C)cc(cc1C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__