AD29812
1334500-02-5 | [3-(3-cyanophenyl)phenyl]acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD29812
ChemicalName
[3-(3-cyanophenyl)phenyl]acetic acid
CasNumber
1334500-02-5
MolecularFormula
C15H11NO2
MolecularWeight
237.2533
MdlNumber
MFCD05981177
Smiles
N#Cc1cccc(c1)c1cccc(c1)CC(=O)O
Complexity
344
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AD29812
ChemicalName: [3-(3-cyanophenyl)phenyl]acetic acid
CasNumber: 1334500-02-5
MolecularFormula: C15H11NO2
MolecularWeight: 237.2533
MdlNumber: MFCD05981177
Smiles: N#Cc1cccc(c1)c1cccc(c1)CC(=O)O
Complexity: 344
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AD29812
ChemicalName:
[3-(3-cyanophenyl)phenyl]acetic acid
CasNumber:
1334500-02-5
MolecularFormula:
C15H11NO2
MolecularWeight:
237.2533
MdlNumber:
MFCD05981177
Smiles:
N#Cc1cccc(c1)c1cccc(c1)CC(=O)O
Complexity:
344
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AD29813
ChemicalName: 3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether
CasNumber: 1334499-94-3
MolecularFormula: C11H11BrO2
MolecularWeight: 255.1078
MdlNumber: MFCD20231462
Smiles: Brc1cccc2c1OCC1(CO2)CC1
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AD29813
ChemicalName:
3-Bromocatechol 1,1-cyclopropanemethanol cyclic ether
CasNumber:
1334499-94-3
MolecularFormula:
C11H11BrO2
MolecularWeight:
255.1078
MdlNumber:
MFCD20231462
Smiles:
Brc1cccc2c1OCC1(CO2)CC1
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AD29815
ChemicalName: Methyl 2-(bromomethyl)-4-nitrobenzoate
CasNumber: 133446-99-8
MolecularFormula: C9H8BrNO4
MolecularWeight: 274.0681
MdlNumber: MFCD11505948
Smiles: COC(=O)c1ccc(cc1CBr)[N+](=O)[O-]
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AD29815
ChemicalName:
Methyl 2-(bromomethyl)-4-nitrobenzoate
CasNumber:
133446-99-8
MolecularFormula:
C9H8BrNO4
MolecularWeight:
274.0681
MdlNumber:
MFCD11505948
Smiles:
COC(=O)c1ccc(cc1CBr)[N+](=O)[O-]
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC1OC(OCc2ccccc2)C(C(C1O)O)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC1OC(OCc2ccccc2)C(C(C1O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__