AA83295
161373-46-2 | 4-Amino-6-chlorocinnoline-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA83295
ChemicalName
4-Amino-6-chlorocinnoline-3-carboxylic acid
CasNumber
161373-46-2
MolecularFormula
C9H6ClN3O2
MolecularWeight
223.6158
MdlNumber
MFCD01752096
Smiles
Nc1c(nnc2c1cc(Cl)cc2)C(=O)O
NscNumber
669310
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AA83295
ChemicalName: 4-Amino-6-chlorocinnoline-3-carboxylic acid
CasNumber: 161373-46-2
MolecularFormula: C9H6ClN3O2
MolecularWeight: 223.6158
MdlNumber: MFCD01752096
Smiles: Nc1c(nnc2c1cc(Cl)cc2)C(=O)O
NscNumber: 669310
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AA83295
ChemicalName:
4-Amino-6-chlorocinnoline-3-carboxylic acid
CasNumber:
161373-46-2
MolecularFormula:
C9H6ClN3O2
MolecularWeight:
223.6158
MdlNumber:
MFCD01752096
Smiles:
Nc1c(nnc2c1cc(Cl)cc2)C(=O)O
NscNumber:
669310
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AA83298
ChemicalName: 4-Amino-6-fluorocinnoline-3-carboxylic acid
CasNumber: 161373-43-9
MolecularFormula: C9H6FN3O2
MolecularWeight: 207.1612
MdlNumber: MFCD24395657
Smiles: Nc1c(nnc2c1cc(F)cc2)C(=O)O
NscNumber: __
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AA83298
ChemicalName:
4-Amino-6-fluorocinnoline-3-carboxylic acid
CasNumber:
161373-43-9
MolecularFormula:
C9H6FN3O2
MolecularWeight:
207.1612
MdlNumber:
MFCD24395657
Smiles:
Nc1c(nnc2c1cc(F)cc2)C(=O)O
NscNumber:
__
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1cc2c(N)c(nnc2cc1)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1cc2c(N)c(nnc2cc1)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1
NscNumber: __
Complexity: 362
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CP(=O)(Oc1ccccc1)Oc1ccccc1
NscNumber:
__
Complexity:
362
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4