AB49533
219763-87-8 | 4-Bromoquinoline-6-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49533
ChemicalName
4-Bromoquinoline-6-carboxylic acid
CasNumber
219763-87-8
MolecularFormula
C10H6BrNO2
MolecularWeight
252.0641
MdlNumber
MFCD11518955
Smiles
OC(=O)c1ccc2c(c1)c(Br)ccn2
Complexity
234
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.4
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CatalogNumber: AB49533
ChemicalName: 4-Bromoquinoline-6-carboxylic acid
CasNumber: 219763-87-8
MolecularFormula: C10H6BrNO2
MolecularWeight: 252.0641
MdlNumber: MFCD11518955
Smiles: OC(=O)c1ccc2c(c1)c(Br)ccn2
Complexity: 234
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AB49533
ChemicalName:
4-Bromoquinoline-6-carboxylic acid
CasNumber:
219763-87-8
MolecularFormula:
C10H6BrNO2
MolecularWeight:
252.0641
MdlNumber:
MFCD11518955
Smiles:
OC(=O)c1ccc2c(c1)c(Br)ccn2
Complexity:
234
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(c(c1Cl)Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49535
ChemicalName: 4-Cyano-2-methoxybenzaldehyde
CasNumber: 21962-45-8
MolecularFormula: C9H7NO2
MolecularWeight: 161.1574
MdlNumber: MFCD07779491
Smiles: COc1cc(C#N)ccc1C=O
Complexity: 206
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB49535
ChemicalName:
4-Cyano-2-methoxybenzaldehyde
CasNumber:
21962-45-8
MolecularFormula:
C9H7NO2
MolecularWeight:
161.1574
MdlNumber:
MFCD07779491
Smiles:
COc1cc(C#N)ccc1C=O
Complexity:
206
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(/C=C/c2ccccc2)cc(c1)OC
Complexity: 244
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(/C=C/c2ccccc2)cc(c1)OC
Complexity:
244
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1