AD60522
214778-10-6 | 3-(Methylamino)-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD60522
ChemicalName
3-(Methylamino)-4-nitrobenzoic acid
CasNumber
214778-10-6
MolecularFormula
C8H8N2O4
MolecularWeight
196.1601
MdlNumber
MFCD18826011
Smiles
CNc1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity
238
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.3
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CatalogNumber: AD60522
ChemicalName: 3-(Methylamino)-4-nitrobenzoic acid
CasNumber: 214778-10-6
MolecularFormula: C8H8N2O4
MolecularWeight: 196.1601
MdlNumber: MFCD18826011
Smiles: CNc1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AD60522
ChemicalName:
3-(Methylamino)-4-nitrobenzoic acid
CasNumber:
214778-10-6
MolecularFormula:
C8H8N2O4
MolecularWeight:
196.1601
MdlNumber:
MFCD18826011
Smiles:
CNc1cc(ccc1[N+](=O)[O-])C(=O)O
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1c(C)cc(c(c1C)Cl)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1c(C)cc(c(c1C)Cl)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD60526
ChemicalName: Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate
CasNumber: 118399-28-3
MolecularFormula: C12H13NO4
MolecularWeight: 235.2359
MdlNumber: MFCD09839299
Smiles: O=C(N[C@H]1COC(=O)C1)OCc1ccccc1
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.1
CatalogNumber:
AD60526
ChemicalName:
Benzyl (R)-5-oxotetrahydrofuran-3-ylcarbamate
CasNumber:
118399-28-3
MolecularFormula:
C12H13NO4
MolecularWeight:
235.2359
MdlNumber:
MFCD09839299
Smiles:
O=C(N[C@H]1COC(=O)C1)OCc1ccccc1
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H](O)CN2[C@@H]([C@H]1O)[C@@H](O)CC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@H](O)CN2[C@@H]([C@H]1O)[C@@H](O)CC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__