AI41907
1864016-04-5 | 1-Benzyl-3-chloropyrrolidine-3-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI41907
ChemicalName
1-Benzyl-3-chloropyrrolidine-3-carbonitrile
CasNumber
1864016-04-5
MolecularFormula
C12H13ClN2
MolecularWeight
220.698
MdlNumber
MFCD29035393
Smiles
N#CC1(Cl)CCN(C1)Cc1ccccc1
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
2.1
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CatalogNumber: AI41907
ChemicalName: 1-Benzyl-3-chloropyrrolidine-3-carbonitrile
CasNumber: 1864016-04-5
MolecularFormula: C12H13ClN2
MolecularWeight: 220.698
MdlNumber: MFCD29035393
Smiles: N#CC1(Cl)CCN(C1)Cc1ccccc1
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.1
CatalogNumber:
AI41907
ChemicalName:
1-Benzyl-3-chloropyrrolidine-3-carbonitrile
CasNumber:
1864016-04-5
MolecularFormula:
C12H13ClN2
MolecularWeight:
220.698
MdlNumber:
MFCD29035393
Smiles:
N#CC1(Cl)CCN(C1)Cc1ccccc1
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(c(c1)Cl)CCc1ccc(cc1Cl)F
Complexity: 236
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 5.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(c(c1)Cl)CCc1ccc(cc1Cl)F
Complexity:
236
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
5.6
CatalogNumber: AI41909
ChemicalName: 8-Bromo-1-methyl-6-(trifluoromethyl)-4H-quinoxaline-2,3-dione
CasNumber: 1864016-15-8
MolecularFormula: C10H6BrF3N2O2
MolecularWeight: 323.066
MdlNumber: MFCD29035426
Smiles: FC(c1cc(Br)c2c(c1)[nH]c(=O)c(=O)n2C)(F)F
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.2
CatalogNumber:
AI41909
ChemicalName:
8-Bromo-1-methyl-6-(trifluoromethyl)-4H-quinoxaline-2,3-dione
CasNumber:
1864016-15-8
MolecularFormula:
C10H6BrF3N2O2
MolecularWeight:
323.066
MdlNumber:
MFCD29035426
Smiles:
FC(c1cc(Br)c2c(c1)[nH]c(=O)c(=O)n2C)(F)F
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC2CC2C(=O)C1(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC2CC2C(=O)C1(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__