AE61970
1334499-98-7 | Methyl 3-(4-aminophenyl)-5-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE61970
ChemicalName
Methyl 3-(4-aminophenyl)-5-fluorobenzoate
CasNumber
1334499-98-7
MolecularFormula
C14H12FNO2
MolecularWeight
245.249
MdlNumber
MFCD20231504
Smiles
COC(=O)c1cc(F)cc(c1)c1ccc(cc1)N
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AE61970
ChemicalName: Methyl 3-(4-aminophenyl)-5-fluorobenzoate
CasNumber: 1334499-98-7
MolecularFormula: C14H12FNO2
MolecularWeight: 245.249
MdlNumber: MFCD20231504
Smiles: COC(=O)c1cc(F)cc(c1)c1ccc(cc1)N
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AE61970
ChemicalName:
Methyl 3-(4-aminophenyl)-5-fluorobenzoate
CasNumber:
1334499-98-7
MolecularFormula:
C14H12FNO2
MolecularWeight:
245.249
MdlNumber:
MFCD20231504
Smiles:
COC(=O)c1cc(F)cc(c1)c1ccc(cc1)N
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AE61971
ChemicalName: 4-[3-(Carboxymethyl)phenyl]benzoic acid
CasNumber: 1375068-94-2
MolecularFormula: C15H12O4
MolecularWeight: 256.2534
MdlNumber: MFCD22205781
Smiles: OC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AE61971
ChemicalName:
4-[3-(Carboxymethyl)phenyl]benzoic acid
CasNumber:
1375068-94-2
MolecularFormula:
C15H12O4
MolecularWeight:
256.2534
MdlNumber:
MFCD22205781
Smiles:
OC(=O)Cc1cccc(c1)c1ccc(cc1)C(=O)O
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AE61972
ChemicalName: 4-Iodo-2,3-dimethoxypyridine
CasNumber: 1261365-64-3
MolecularFormula: C7H8INO2
MolecularWeight: 265.0484
MdlNumber: MFCD18374103
Smiles: COc1c(OC)nccc1I
Complexity: 123
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AE61972
ChemicalName:
4-Iodo-2,3-dimethoxypyridine
CasNumber:
1261365-64-3
MolecularFormula:
C7H8INO2
MolecularWeight:
265.0484
MdlNumber:
MFCD18374103
Smiles:
COc1c(OC)nccc1I
Complexity:
123
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=O)c1ccc(cc1)c1ccccc1N)C
Complexity: 282
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)c1ccc(cc1)c1ccccc1N)C
Complexity:
282
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3