AB49378
298690-74-1 | 2-(3-Chlorophenyl)pyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AB49378
ChemicalName
2-(3-Chlorophenyl)pyrrolidine
CasNumber
298690-74-1
MolecularFormula
C10H12ClN
MolecularWeight
181.662
MdlNumber
MFCD02663429
Smiles
Clc1cccc(c1)C1CCCN1
Complexity
149
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.4
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CatalogNumber: AB49378
ChemicalName: 2-(3-Chlorophenyl)pyrrolidine
CasNumber: 298690-74-1
MolecularFormula: C10H12ClN
MolecularWeight: 181.662
MdlNumber: MFCD02663429
Smiles: Clc1cccc(c1)C1CCCN1
Complexity: 149
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.4
CatalogNumber:
AB49378
ChemicalName:
2-(3-Chlorophenyl)pyrrolidine
CasNumber:
298690-74-1
MolecularFormula:
C10H12ClN
MolecularWeight:
181.662
MdlNumber:
MFCD02663429
Smiles:
Clc1cccc(c1)C1CCCN1
Complexity:
149
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.4
CatalogNumber: AB49379
ChemicalName: 1-Bromo-3-(difluoromethyl)benzene
CasNumber: 29848-59-7
MolecularFormula: C7H5BrF2
MolecularWeight: 207.0154
MdlNumber: MFCD07368984
Smiles: Brc1cccc(c1)C(F)F
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3.2
CatalogNumber:
AB49379
ChemicalName:
1-Bromo-3-(difluoromethyl)benzene
CasNumber:
29848-59-7
MolecularFormula:
C7H5BrF2
MolecularWeight:
207.0154
MdlNumber:
MFCD07368984
Smiles:
Brc1cccc(c1)C(F)F
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1nccc(c1)C(=O)N
Complexity: 140
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1nccc(c1)C(=O)N
Complexity:
140
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.6
CatalogNumber: AB49381
ChemicalName: Isorhamnetin
CasNumber: 480-19-3
MolecularFormula: C16H12O7
MolecularWeight: 316.2623
MdlNumber: MFCD00017310
Smiles: COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O
Complexity: 503
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 4
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 1.9
CatalogNumber:
AB49381
ChemicalName:
Isorhamnetin
CasNumber:
480-19-3
MolecularFormula:
C16H12O7
MolecularWeight:
316.2623
MdlNumber:
MFCD00017310
Smiles:
COc1cc(ccc1O)c1oc2cc(O)cc(c2c(=O)c1O)O
Complexity:
503
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
4
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.9