AA36281
1261906-95-9 | 3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36281
ChemicalName
3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid
CasNumber
1261906-95-9
MolecularFormula
C14H11NO4
MolecularWeight
257.2414
MdlNumber
MFCD18320298
Smiles
Nc1cc(cc(c1)C(=O)O)c1ccc2c(c1)OCO2
Complexity
348
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AA36281
ChemicalName: 3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid
CasNumber: 1261906-95-9
MolecularFormula: C14H11NO4
MolecularWeight: 257.2414
MdlNumber: MFCD18320298
Smiles: Nc1cc(cc(c1)C(=O)O)c1ccc2c(c1)OCO2
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA36281
ChemicalName:
3-Amino-5-(3,4-methylenedioxyphenyl)benzoic acid
CasNumber:
1261906-95-9
MolecularFormula:
C14H11NO4
MolecularWeight:
257.2414
MdlNumber:
MFCD18320298
Smiles:
Nc1cc(cc(c1)C(=O)O)c1ccc2c(c1)OCO2
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity: 355
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity:
355
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCn1cnc2c1cc(F)c(c2)Br
Complexity: 215
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCn1cnc2c1cc(F)c(c2)Br
Complexity:
215
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: AA36285
ChemicalName: 4-(3-Carboxy-5-fluorophenyl)-2-chlorobenzoic acid
CasNumber: 1261906-07-3
MolecularFormula: C14H8ClFO4
MolecularWeight: 294.6623
MdlNumber: MFCD18321481
Smiles: Fc1cc(cc(c1)c1ccc(c(c1)Cl)C(=O)O)C(=O)O
Complexity: 389
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AA36285
ChemicalName:
4-(3-Carboxy-5-fluorophenyl)-2-chlorobenzoic acid
CasNumber:
1261906-07-3
MolecularFormula:
C14H8ClFO4
MolecularWeight:
294.6623
MdlNumber:
MFCD18321481
Smiles:
Fc1cc(cc(c1)c1ccc(c(c1)Cl)C(=O)O)C(=O)O
Complexity:
389
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3.3