AE62764
1420800-35-6 | Methyl 3-(t-butylamino)-4-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62764
ChemicalName
Methyl 3-(t-butylamino)-4-nitrobenzoate
CasNumber
1420800-35-6
MolecularFormula
C12H16N2O4
MolecularWeight
252.2664
MdlNumber
MFCD22689079
Smiles
COC(=O)c1ccc(c(c1)NC(C)(C)C)[N+](=O)[O-]
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AE62764
ChemicalName: Methyl 3-(t-butylamino)-4-nitrobenzoate
CasNumber: 1420800-35-6
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD22689079
Smiles: COC(=O)c1ccc(c(c1)NC(C)(C)C)[N+](=O)[O-]
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AE62764
ChemicalName:
Methyl 3-(t-butylamino)-4-nitrobenzoate
CasNumber:
1420800-35-6
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD22689079
Smiles:
COC(=O)c1ccc(c(c1)NC(C)(C)C)[N+](=O)[O-]
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AE62765
ChemicalName: 5-Iodo-3-methyl-1-(THP)pyrazole
CasNumber: 1345471-37-5
MolecularFormula: C9H13IN2O
MolecularWeight: 292.1168
MdlNumber: MFCD20441934
Smiles: Cc1nn(c(c1)I)C1CCCCO1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AE62765
ChemicalName:
5-Iodo-3-methyl-1-(THP)pyrazole
CasNumber:
1345471-37-5
MolecularFormula:
C9H13IN2O
MolecularWeight:
292.1168
MdlNumber:
MFCD20441934
Smiles:
Cc1nn(c(c1)I)C1CCCCO1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CCN1CCC(CC1)N)C.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCN1CCC(CC1)N)C.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1ccccc1N(C)C
Complexity: 303
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cccc(c1)c1ccccc1N(C)C
Complexity:
303
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.5