AE99603
17296-28-5 | 2-(2-Methoxyphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE99603
ChemicalName
2-(2-Methoxyphenyl)benzoic acid
CasNumber
17296-28-5
MolecularFormula
C14H12O3
MolecularWeight
228.2433
MdlNumber
MFCD03426461
Smiles
COc1ccccc1c1ccccc1C(=O)O
NscNumber
97635
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AE99603
ChemicalName: 2-(2-Methoxyphenyl)benzoic acid
CasNumber: 17296-28-5
MolecularFormula: C14H12O3
MolecularWeight: 228.2433
MdlNumber: MFCD03426461
Smiles: COc1ccccc1c1ccccc1C(=O)O
NscNumber: 97635
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AE99603
ChemicalName:
2-(2-Methoxyphenyl)benzoic acid
CasNumber:
17296-28-5
MolecularFormula:
C14H12O3
MolecularWeight:
228.2433
MdlNumber:
MFCD03426461
Smiles:
COc1ccccc1c1ccccc1C(=O)O
NscNumber:
97635
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AE99604
ChemicalName: 8-Chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
CasNumber: 195983-60-9
MolecularFormula: C9H7ClN2O2
MolecularWeight: 210.6171
MdlNumber: MFCD02956114
Smiles: O=C1CNC(=O)c2c(N1)cc(Cl)cc2
NscNumber: __
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
AE99604
ChemicalName:
8-Chloro-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione
CasNumber:
195983-60-9
MolecularFormula:
C9H7ClN2O2
MolecularWeight:
210.6171
MdlNumber:
MFCD02956114
Smiles:
O=C1CNC(=O)c2c(N1)cc(Cl)cc2
NscNumber:
__
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cn1cnc2c1nc(NC(=O)OC(c1ccccc1)c1ccccc1)[nH]c2=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cn1cnc2c1nc(NC(=O)OC(c1ccccc1)c1ccccc1)[nH]c2=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ncnc2c1ncn2CC(=O)O)OC(c1ccccc1)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ncnc2c1ncn2CC(=O)O)OC(c1ccccc1)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__