AG79652
6306-25-8 | 4-[(Aminocarbonyl)amino]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AG79652
ChemicalName
4-[(Aminocarbonyl)amino]benzoic acid
CasNumber
6306-25-8
MolecularFormula
C8H8N2O3
MolecularWeight
180.1607
MdlNumber
MFCD00025432
Smiles
NC(=O)Nc1ccc(cc1)C(=O)O
Complexity
209
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
0.7
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CatalogNumber: AG79652
ChemicalName: 4-[(Aminocarbonyl)amino]benzoic acid
CasNumber: 6306-25-8
MolecularFormula: C8H8N2O3
MolecularWeight: 180.1607
MdlNumber: MFCD00025432
Smiles: NC(=O)Nc1ccc(cc1)C(=O)O
Complexity: 209
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AG79652
ChemicalName:
4-[(Aminocarbonyl)amino]benzoic acid
CasNumber:
6306-25-8
MolecularFormula:
C8H8N2O3
MolecularWeight:
180.1607
MdlNumber:
MFCD00025432
Smiles:
NC(=O)Nc1ccc(cc1)C(=O)O
Complexity:
209
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc2c(c1)nc(n2c1ccccc1)C
Complexity: 339
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc2c(c1)nc(n2c1ccccc1)C
Complexity:
339
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: AG79655
ChemicalName: 4-(Ethanesulfonyl)aniline
CasNumber: 6334-01-6
MolecularFormula: C8H11NO2S
MolecularWeight: 185.2434
MdlNumber: MFCD01670261
Smiles: CCS(=O)(=O)c1ccc(cc1)N
Complexity: 222
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.2
CatalogNumber:
AG79655
ChemicalName:
4-(Ethanesulfonyl)aniline
CasNumber:
6334-01-6
MolecularFormula:
C8H11NO2S
MolecularWeight:
185.2434
MdlNumber:
MFCD01670261
Smiles:
CCS(=O)(=O)c1ccc(cc1)N
Complexity:
222
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.2
CatalogNumber: AG79656
ChemicalName: 1,2-Bis(4-cyanophenoxy)ethane
CasNumber: 56406-20-3
MolecularFormula: C16H12N2O2
MolecularWeight: 264.27868
MdlNumber: MFCD10553637
Smiles: N#Cc1ccc(cc1)OCCOc1ccc(cc1)C#N
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 3.2
CatalogNumber:
AG79656
ChemicalName:
1,2-Bis(4-cyanophenoxy)ethane
CasNumber:
56406-20-3
MolecularFormula:
C16H12N2O2
MolecularWeight:
264.27868
MdlNumber:
MFCD10553637
Smiles:
N#Cc1ccc(cc1)OCCOc1ccc(cc1)C#N
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
3.2