AI48790
35681-40-4 | 1-Isopropyl-3H-1,3-benzodiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AI48790
ChemicalName
1-Isopropyl-3H-1,3-benzodiazol-2-one
CasNumber
35681-40-4
MolecularFormula
C10H12N2O
MolecularWeight
176.2151
MdlNumber
MFCD27578171
Smiles
CC(n1c(=O)[nH]c2c1cccc2)C
Complexity
215
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.5
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CatalogNumber: AI48790
ChemicalName: 1-Isopropyl-3H-1,3-benzodiazol-2-one
CasNumber: 35681-40-4
MolecularFormula: C10H12N2O
MolecularWeight: 176.2151
MdlNumber: MFCD27578171
Smiles: CC(n1c(=O)[nH]c2c1cccc2)C
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AI48790
ChemicalName:
1-Isopropyl-3H-1,3-benzodiazol-2-one
CasNumber:
35681-40-4
MolecularFormula:
C10H12N2O
MolecularWeight:
176.2151
MdlNumber:
MFCD27578171
Smiles:
CC(n1c(=O)[nH]c2c1cccc2)C
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]C(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)Cc1ccc(n1C)C(=O)c1ccc(cc1)C.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1cccc(c1)n1cccn1)(F)F
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1cccc(c1)n1cccn1)(F)F
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccccc1n1cnnn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccccc1n1cnnn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__