AH58787
761388-52-7 | 3-(Isopropylamino)-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AH58787
ChemicalName
3-(Isopropylamino)-4-nitrobenzoic acid
CasNumber
761388-52-7
MolecularFormula
C10H12N2O4
MolecularWeight
224.2133
MdlNumber
MFCD22421483
Smiles
CC(Nc1cc(ccc1[N+](=O)[O-])C(=O)O)C
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AH58787
ChemicalName: 3-(Isopropylamino)-4-nitrobenzoic acid
CasNumber: 761388-52-7
MolecularFormula: C10H12N2O4
MolecularWeight: 224.2133
MdlNumber: MFCD22421483
Smiles: CC(Nc1cc(ccc1[N+](=O)[O-])C(=O)O)C
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AH58787
ChemicalName:
3-(Isopropylamino)-4-nitrobenzoic acid
CasNumber:
761388-52-7
MolecularFormula:
C10H12N2O4
MolecularWeight:
224.2133
MdlNumber:
MFCD22421483
Smiles:
CC(Nc1cc(ccc1[N+](=O)[O-])C(=O)O)C
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH58789
ChemicalName: 4-Methanesulfonyl-3-methoxyaniline
CasNumber: 75259-31-3
MolecularFormula: C8H11NO3S
MolecularWeight: 201.2428
MdlNumber: MFCD13188510
Smiles: COc1cc(N)ccc1S(=O)(=O)C
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AH58789
ChemicalName:
4-Methanesulfonyl-3-methoxyaniline
CasNumber:
75259-31-3
MolecularFormula:
C8H11NO3S
MolecularWeight:
201.2428
MdlNumber:
MFCD13188510
Smiles:
COc1cc(N)ccc1S(=O)(=O)C
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc2c(c1)nc[nH]2)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc2c(c1)nc[nH]2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__