AE62779
1415819-82-7 | Methyl 4-(tert-butylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62779
ChemicalName
Methyl 4-(tert-butylamino)-3-nitrobenzoate
CasNumber
1415819-82-7
MolecularFormula
C12H16N2O4
MolecularWeight
252.2664
MdlNumber
MFCD22586696
Smiles
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AE62779
ChemicalName: Methyl 4-(tert-butylamino)-3-nitrobenzoate
CasNumber: 1415819-82-7
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD22586696
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AE62779
ChemicalName:
Methyl 4-(tert-butylamino)-3-nitrobenzoate
CasNumber:
1415819-82-7
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD22586696
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AE62780
ChemicalName: 1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
CasNumber: 1423037-53-9
MolecularFormula: C18H19NO3S
MolecularWeight: 329.4134
MdlNumber: MFCD23135934
Smiles: OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1
Complexity: 437
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AE62780
ChemicalName:
1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
CasNumber:
1423037-53-9
MolecularFormula:
C18H19NO3S
MolecularWeight:
329.4134
MdlNumber:
MFCD23135934
Smiles:
OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1
Complexity:
437
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.8
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Smiles: Brc1cccc2c1c(N)nn2C
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Smiles: C1=CN=C(C(=C1C=O)F)N
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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