AB63096
862254-43-1 | 3-(2-Amino-4-thiazolyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB63096
ChemicalName
3-(2-Amino-4-thiazolyl)benzoic acid
CasNumber
862254-43-1
MolecularFormula
C10H8N2O2S
MolecularWeight
220.2477
MdlNumber
MFCD12196529
Smiles
Nc1scc(n1)c1cccc(c1)C(=O)O
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AB63096
ChemicalName: 3-(2-Amino-4-thiazolyl)benzoic acid
CasNumber: 862254-43-1
MolecularFormula: C10H8N2O2S
MolecularWeight: 220.2477
MdlNumber: MFCD12196529
Smiles: Nc1scc(n1)c1cccc(c1)C(=O)O
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB63096
ChemicalName:
3-(2-Amino-4-thiazolyl)benzoic acid
CasNumber:
862254-43-1
MolecularFormula:
C10H8N2O2S
MolecularWeight:
220.2477
MdlNumber:
MFCD12196529
Smiles:
Nc1scc(n1)c1cccc(c1)C(=O)O
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccc(c1)c1csc(n1)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccc(c1)c1csc(n1)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63098
ChemicalName: 3-(2-Aminoethoxy)benzonitrile
CasNumber: 120351-94-2
MolecularFormula: C9H10N2O
MolecularWeight: 162.1885
MdlNumber: MFCD16495888
Smiles: NCCOc1cccc(c1)C#N
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB63098
ChemicalName:
3-(2-Aminoethoxy)benzonitrile
CasNumber:
120351-94-2
MolecularFormula:
C9H10N2O
MolecularWeight:
162.1885
MdlNumber:
MFCD16495888
Smiles:
NCCOc1cccc(c1)C#N
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCc1c[nH]c2c1cc(OC)cc2
Complexity: 186
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCc1c[nH]c2c1cc(OC)cc2
Complexity:
186
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.5