AF36745
2403-53-4 | 2-(4-Nitrophenyl)-1,3-dioxolane
Manufacturer: A2B Chem
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CatalogNumber
AF36745
ChemicalName
2-(4-Nitrophenyl)-1,3-dioxolane
CasNumber
2403-53-4
MolecularFormula
C9H9NO4
MolecularWeight
195.1721
MdlNumber
MFCD00550438
Smiles
[O-][N+](=O)c1ccc(cc1)C1OCCO1
NscNumber
105593
Complexity
201
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AF36745
ChemicalName: 2-(4-Nitrophenyl)-1,3-dioxolane
CasNumber: 2403-53-4
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00550438
Smiles: [O-][N+](=O)c1ccc(cc1)C1OCCO1
NscNumber: 105593
Complexity: 201
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AF36745
ChemicalName:
2-(4-Nitrophenyl)-1,3-dioxolane
CasNumber:
2403-53-4
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00550438
Smiles:
[O-][N+](=O)c1ccc(cc1)C1OCCO1
NscNumber:
105593
Complexity:
201
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AF36746
ChemicalName: 3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
CasNumber: 221006-68-4
MolecularFormula: C8H13BO3
MolecularWeight: 167.998
MdlNumber: MFCD18311846
Smiles: OB(C1=CC(C)(C)CCC1=O)O
NscNumber: __
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF36746
ChemicalName:
3,3-Dimethyl-6-oxocyclohex-1-enylboronic acid
CasNumber:
221006-68-4
MolecularFormula:
C8H13BO3
MolecularWeight:
167.998
MdlNumber:
MFCD18311846
Smiles:
OB(C1=CC(C)(C)CCC1=O)O
NscNumber:
__
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AF36747
ChemicalName: N-Ethyl-3-nitrobenzamide
CasNumber: 26819-11-4
MolecularFormula: C9H10N2O3
MolecularWeight: 194.1873
MdlNumber: MFCD01211875
Smiles: CCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber: __
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AF36747
ChemicalName:
N-Ethyl-3-nitrobenzamide
CasNumber:
26819-11-4
MolecularFormula:
C9H10N2O3
MolecularWeight:
194.1873
MdlNumber:
MFCD01211875
Smiles:
CCNC(=O)c1cccc(c1)[N+](=O)[O-]
NscNumber:
__
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AF36748
ChemicalName: 2-(Propylsulfanyl)benzoic acid
CasNumber: 21213-10-5
MolecularFormula: C10H12O2S
MolecularWeight: 196.2661
MdlNumber: MFCD02729229
Smiles: CCCSc1ccccc1C(=O)O
NscNumber: 100939
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AF36748
ChemicalName:
2-(Propylsulfanyl)benzoic acid
CasNumber:
21213-10-5
MolecularFormula:
C10H12O2S
MolecularWeight:
196.2661
MdlNumber:
MFCD02729229
Smiles:
CCCSc1ccccc1C(=O)O
NscNumber:
100939
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.9