AG30565
4405-28-1 | 2-(Dimethylamino)-5-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG30565
ChemicalName
2-(Dimethylamino)-5-nitrobenzoic acid
CasNumber
4405-28-1
MolecularFormula
C9H10N2O4
MolecularWeight
210.1867
MdlNumber
MFCD01566151
Smiles
OC(=O)c1cc(ccc1N(C)C)[N+](=O)[O-]
Complexity
261
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AG30565
ChemicalName: 2-(Dimethylamino)-5-nitrobenzoic acid
CasNumber: 4405-28-1
MolecularFormula: C9H10N2O4
MolecularWeight: 210.1867
MdlNumber: MFCD01566151
Smiles: OC(=O)c1cc(ccc1N(C)C)[N+](=O)[O-]
Complexity: 261
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AG30565
ChemicalName:
2-(Dimethylamino)-5-nitrobenzoic acid
CasNumber:
4405-28-1
MolecularFormula:
C9H10N2O4
MolecularWeight:
210.1867
MdlNumber:
MFCD01566151
Smiles:
OC(=O)c1cc(ccc1N(C)C)[N+](=O)[O-]
Complexity:
261
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cc(ccc1[N+](=O)[O-])Oc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cc(ccc1[N+](=O)[O-])Oc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN(C(=O)c1cccc(c1O)N)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN(C(=O)c1cccc(c1O)N)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG30569
ChemicalName: 4-Chloro-3-(methylsulfonyl)benzoic acid
CasNumber: 51522-07-7
MolecularFormula: C8H7ClO4S
MolecularWeight: 234.65678000000005
MdlNumber: MFCD06342742
Smiles: OC(=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AG30569
ChemicalName:
4-Chloro-3-(methylsulfonyl)benzoic acid
CasNumber:
51522-07-7
MolecularFormula:
C8H7ClO4S
MolecularWeight:
234.65678000000005
MdlNumber:
MFCD06342742
Smiles:
OC(=O)c1ccc(c(c1)S(=O)(=O)C)Cl
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3