AG32831
53578-11-3 | 4-Nitro-1-(pyrrolidinocarbonyl)benzene
Manufacturer: A2B Chem
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CatalogNumber
AG32831
ChemicalName
4-Nitro-1-(pyrrolidinocarbonyl)benzene
CasNumber
53578-11-3
MolecularFormula
C11H12N2O3
MolecularWeight
220.2246
MdlNumber
MFCD00578423
Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC1
NscNumber
677744
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.7
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CatalogNumber: AG32831
ChemicalName: 4-Nitro-1-(pyrrolidinocarbonyl)benzene
CasNumber: 53578-11-3
MolecularFormula: C11H12N2O3
MolecularWeight: 220.2246
MdlNumber: MFCD00578423
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC1
NscNumber: 677744
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AG32831
ChemicalName:
4-Nitro-1-(pyrrolidinocarbonyl)benzene
CasNumber:
53578-11-3
MolecularFormula:
C11H12N2O3
MolecularWeight:
220.2246
MdlNumber:
MFCD00578423
Smiles:
O=C(c1ccc(cc1)[N+](=O)[O-])N1CCCC1
NscNumber:
677744
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: AG32832
ChemicalName: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
CasNumber: 479411-95-5
MolecularFormula: C14H15BF3NO2
MolecularWeight: 297.0806
MdlNumber: MFCD12405369
Smiles: N#Cc1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 439
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AG32832
ChemicalName:
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)benzonitrile
CasNumber:
479411-95-5
MolecularFormula:
C14H15BF3NO2
MolecularWeight:
297.0806
MdlNumber:
MFCD12405369
Smiles:
N#Cc1cc(cc(c1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
439
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AG32833
ChemicalName: 5-Acetamido-2-bromo-1,3-difluorobenzene
CasNumber: 541539-64-4
MolecularFormula: C8H6BrF2NO
MolecularWeight: 250.0401
MdlNumber: MFCD04038226
Smiles: CC(=O)Nc1cc(F)c(c(c1)F)Br
NscNumber: __
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 2
CatalogNumber:
AG32833
ChemicalName:
5-Acetamido-2-bromo-1,3-difluorobenzene
CasNumber:
541539-64-4
MolecularFormula:
C8H6BrF2NO
MolecularWeight:
250.0401
MdlNumber:
MFCD04038226
Smiles:
CC(=O)Nc1cc(F)c(c(c1)F)Br
NscNumber:
__
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1c(Cl)ccc(c1Cl)N
NscNumber: __
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1c(Cl)ccc(c1Cl)N
NscNumber:
__
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6