AI65174
96-31-1 | 1,3-Dimethylurea
Manufacturer: A2B Chem
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CatalogNumber
AI65174
ChemicalName
1,3-Dimethylurea
CasNumber
96-31-1
MolecularFormula
C3H8N2O
MolecularWeight
88.1084
MdlNumber
MFCD00008286
Smiles
CNC(=O)NC
Complexity
46.8
Covalently-bondedUnitCount
1
HeavyAtomCount
6
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
2
Xlogp3
-0.5
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CatalogNumber: AI65174
ChemicalName: 1,3-Dimethylurea
CasNumber: 96-31-1
MolecularFormula: C3H8N2O
MolecularWeight: 88.1084
MdlNumber: MFCD00008286
Smiles: CNC(=O)NC
Complexity: 46.8
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
Xlogp3: -0.5
CatalogNumber:
AI65174
ChemicalName:
1,3-Dimethylurea
CasNumber:
96-31-1
MolecularFormula:
C3H8N2O
MolecularWeight:
88.1084
MdlNumber:
MFCD00008286
Smiles:
CNC(=O)NC
Complexity:
46.8
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N=c1scc[nH]1
Complexity: 48.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N=c1scc[nH]1
Complexity:
48.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(N)c(c(c1)S(=O)(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: AI65177
ChemicalName: 2-Methanesulfonyl-4-nitroaniline
CasNumber: 96-74-2
MolecularFormula: C7H8N2O4S
MolecularWeight: 216.2144
MdlNumber: MFCD00044068
Smiles: [O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)N
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
Xlogp3: 0.9
CatalogNumber:
AI65177
ChemicalName:
2-Methanesulfonyl-4-nitroaniline
CasNumber:
96-74-2
MolecularFormula:
C7H8N2O4S
MolecularWeight:
216.2144
MdlNumber:
MFCD00044068
Smiles:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)N
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
Xlogp3:
0.9