AE62687
1423037-45-9 | Ethyl 3-amino-5-bromo-4-(methylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62687
ChemicalName
Ethyl 3-amino-5-bromo-4-(methylamino)benzoate
CasNumber
1423037-45-9
MolecularFormula
C10H13BrN2O2
MolecularWeight
273.1264
MdlNumber
MFCD23135969
Smiles
CCOC(=O)c1cc(N)c(c(c1)Br)NC
Complexity
226
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AE62687
ChemicalName: Ethyl 3-amino-5-bromo-4-(methylamino)benzoate
CasNumber: 1423037-45-9
MolecularFormula: C10H13BrN2O2
MolecularWeight: 273.1264
MdlNumber: MFCD23135969
Smiles: CCOC(=O)c1cc(N)c(c(c1)Br)NC
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AE62687
ChemicalName:
Ethyl 3-amino-5-bromo-4-(methylamino)benzoate
CasNumber:
1423037-45-9
MolecularFormula:
C10H13BrN2O2
MolecularWeight:
273.1264
MdlNumber:
MFCD23135969
Smiles:
CCOC(=O)c1cc(N)c(c(c1)Br)NC
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)CN1C(=O)c2c(C1=O)cccc2
Complexity: 757
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)CN1C(=O)c2c(C1=O)cccc2
Complexity:
757
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCNc1ccc(cc1N)C(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCNc1ccc(cc1N)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62690
ChemicalName: 6-[4-(Piperidinocarbonyl)phenyl]picolinic acid
CasNumber: 1261922-93-3
MolecularFormula: C18H18N2O3
MolecularWeight: 310.3471
MdlNumber: MFCD18318674
Smiles: O=C(c1ccc(cc1)c1cccc(n1)C(=O)O)N1CCCCC1
Complexity: 426
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AE62690
ChemicalName:
6-[4-(Piperidinocarbonyl)phenyl]picolinic acid
CasNumber:
1261922-93-3
MolecularFormula:
C18H18N2O3
MolecularWeight:
310.3471
MdlNumber:
MFCD18318674
Smiles:
O=C(c1ccc(cc1)c1cccc(n1)C(=O)O)N1CCCCC1
Complexity:
426
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7