AE62736
1375068-86-2 | 2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE62736
ChemicalName
2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid
CasNumber
1375068-86-2
MolecularFormula
C15H13NO4
MolecularWeight
271.268
MdlNumber
MFCD22205810
Smiles
COC(=O)Nc1ccc(cc1)c1ccccc1C(=O)O
Complexity
350
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AE62736
ChemicalName: 2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid
CasNumber: 1375068-86-2
MolecularFormula: C15H13NO4
MolecularWeight: 271.268
MdlNumber: MFCD22205810
Smiles: COC(=O)Nc1ccc(cc1)c1ccccc1C(=O)O
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AE62736
ChemicalName:
2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid
CasNumber:
1375068-86-2
MolecularFormula:
C15H13NO4
MolecularWeight:
271.268
MdlNumber:
MFCD22205810
Smiles:
COC(=O)Nc1ccc(cc1)c1ccccc1C(=O)O
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AE62737
ChemicalName: 1H-1,3-Benzodiazol-5-yl(phenyl)methanol, HCl
CasNumber: 1373232-61-1
MolecularFormula: C14H13ClN2O
MolecularWeight: 260.7188
MdlNumber: MFCD22192475
Smiles: OC(c1ccc2c(c1)nc[nH]2)c1ccccc1.Cl
Complexity: 253
Covalently-bondedUnitCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AE62737
ChemicalName:
1H-1,3-Benzodiazol-5-yl(phenyl)methanol, HCl
CasNumber:
1373232-61-1
MolecularFormula:
C14H13ClN2O
MolecularWeight:
260.7188
MdlNumber:
MFCD22192475
Smiles:
OC(c1ccc2c(c1)nc[nH]2)c1ccccc1.Cl
Complexity:
253
Covalently-bondedUnitCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Cl)ccc1c1ccc(cc1)C(=O)C
Complexity: 284
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Cl)ccc1c1ccc(cc1)C(=O)C
Complexity:
284
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1N)N1CCN(CC1)C.Cl.Cl.Cl
Complexity: 216
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1N)N1CCN(CC1)C.Cl.Cl.Cl
Complexity:
216
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__