AA36411
1261951-56-7 | 2-(4-BOC-Aminophenyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36411
ChemicalName
2-(4-BOC-Aminophenyl)nicotinic acid
CasNumber
1261951-56-7
MolecularFormula
C17H18N2O4
MolecularWeight
314.3358
MdlNumber
MFCD18318702
Smiles
O=C(OC(C)(C)C)Nc1ccc(cc1)c1ncccc1C(=O)O
Complexity
425
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.6
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CatalogNumber: AA36411
ChemicalName: 2-(4-BOC-Aminophenyl)nicotinic acid
CasNumber: 1261951-56-7
MolecularFormula: C17H18N2O4
MolecularWeight: 314.3358
MdlNumber: MFCD18318702
Smiles: O=C(OC(C)(C)C)Nc1ccc(cc1)c1ncccc1C(=O)O
Complexity: 425
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AA36411
ChemicalName:
2-(4-BOC-Aminophenyl)nicotinic acid
CasNumber:
1261951-56-7
MolecularFormula:
C17H18N2O4
MolecularWeight:
314.3358
MdlNumber:
MFCD18318702
Smiles:
O=C(OC(C)(C)C)Nc1ccc(cc1)c1ncccc1C(=O)O
Complexity:
425
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: AA36412
ChemicalName: 4-(3-Cyano-2-fluorophenyl)phenol
CasNumber: 1261951-45-4
MolecularFormula: C13H8FNO
MolecularWeight: 213.2071
MdlNumber: MFCD18312840
Smiles: N#Cc1cccc(c1F)c1ccc(cc1)O
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA36412
ChemicalName:
4-(3-Cyano-2-fluorophenyl)phenol
CasNumber:
1261951-45-4
MolecularFormula:
C13H8FNO
MolecularWeight:
213.2071
MdlNumber:
MFCD18312840
Smiles:
N#Cc1cccc(c1F)c1ccc(cc1)O
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(F)cc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 374
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(F)cc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
374
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AA36414
ChemicalName: 5-Methoxy-3-(thiophen-3-yl)benzoic acid
CasNumber: 1261969-21-4
MolecularFormula: C12H10O3S
MolecularWeight: 234.271
MdlNumber: MFCD18318893
Smiles: COc1cc(cc(c1)C(=O)O)c1ccsc1
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA36414
ChemicalName:
5-Methoxy-3-(thiophen-3-yl)benzoic acid
CasNumber:
1261969-21-4
MolecularFormula:
C12H10O3S
MolecularWeight:
234.271
MdlNumber:
MFCD18318893
Smiles:
COc1cc(cc(c1)C(=O)O)c1ccsc1
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7