AE62733
1420800-34-5 | 2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AE62733
ChemicalName
2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline
CasNumber
1420800-34-5
MolecularFormula
C9H12N2O4S
MolecularWeight
244.2676
MdlNumber
MFCD22689111
Smiles
CN(c1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AE62733
ChemicalName: 2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline
CasNumber: 1420800-34-5
MolecularFormula: C9H12N2O4S
MolecularWeight: 244.2676
MdlNumber: MFCD22689111
Smiles: CN(c1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AE62733
ChemicalName:
2-Methanesulfonyl-N,N-dimethyl-5-nitroaniline
CasNumber:
1420800-34-5
MolecularFormula:
C9H12N2O4S
MolecularWeight:
244.2676
MdlNumber:
MFCD22689111
Smiles:
CN(c1cc(ccc1S(=O)(=O)C)[N+](=O)[O-])C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AE62736
ChemicalName: 2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid
CasNumber: 1375068-86-2
MolecularFormula: C15H13NO4
MolecularWeight: 271.268
MdlNumber: MFCD22205810
Smiles: COC(=O)Nc1ccc(cc1)c1ccccc1C(=O)O
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AE62736
ChemicalName:
2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid
CasNumber:
1375068-86-2
MolecularFormula:
C15H13NO4
MolecularWeight:
271.268
MdlNumber:
MFCD22205810
Smiles:
COC(=O)Nc1ccc(cc1)c1ccccc1C(=O)O
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AE62737
ChemicalName: 1H-1,3-Benzodiazol-5-yl(phenyl)methanol, HCl
CasNumber: 1373232-61-1
MolecularFormula: C14H13ClN2O
MolecularWeight: 260.7188
MdlNumber: MFCD22192475
Smiles: OC(c1ccc2c(c1)nc[nH]2)c1ccccc1.Cl
Complexity: 253
Covalently-bondedUnitCount: 2
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AE62737
ChemicalName:
1H-1,3-Benzodiazol-5-yl(phenyl)methanol, HCl
CasNumber:
1373232-61-1
MolecularFormula:
C14H13ClN2O
MolecularWeight:
260.7188
MdlNumber:
MFCD22192475
Smiles:
OC(c1ccc2c(c1)nc[nH]2)c1ccccc1.Cl
Complexity:
253
Covalently-bondedUnitCount:
2
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(Cl)ccc1c1ccc(cc1)C(=O)C
Complexity: 284
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(Cl)ccc1c1ccc(cc1)C(=O)C
Complexity:
284
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.8