AI54165
635311-42-1 | Benzyl 3-oxocyclopentylcarbamate
Manufacturer: A2B Chem
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CatalogNumber
AI54165
ChemicalName
Benzyl 3-oxocyclopentylcarbamate
CasNumber
635311-42-1
MolecularFormula
C13H15NO3
MolecularWeight
233.2631
MdlNumber
MFCD16036402
Smiles
O=C1CCC(C1)NC(=O)OCc1ccccc1
Complexity
284
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
1.3
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CatalogNumber: AI54165
ChemicalName: Benzyl 3-oxocyclopentylcarbamate
CasNumber: 635311-42-1
MolecularFormula: C13H15NO3
MolecularWeight: 233.2631
MdlNumber: MFCD16036402
Smiles: O=C1CCC(C1)NC(=O)OCc1ccccc1
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.3
CatalogNumber:
AI54165
ChemicalName:
Benzyl 3-oxocyclopentylcarbamate
CasNumber:
635311-42-1
MolecularFormula:
C13H15NO3
MolecularWeight:
233.2631
MdlNumber:
MFCD16036402
Smiles:
O=C1CCC(C1)NC(=O)OCc1ccccc1
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.3
CatalogNumber: AI54166
ChemicalName: 2-(3-(Trifluoromethyl)phenyl)nicotinic acid
CasNumber: 635325-17-6
MolecularFormula: C13H8F3NO2
MolecularWeight: 267.2033
MdlNumber: MFCD16337524
Smiles: OC(=O)c1cccnc1c1cccc(c1)C(F)(F)F
Complexity: 332
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: __
Xlogp3: 2.9
CatalogNumber:
AI54166
ChemicalName:
2-(3-(Trifluoromethyl)phenyl)nicotinic acid
CasNumber:
635325-17-6
MolecularFormula:
C13H8F3NO2
MolecularWeight:
267.2033
MdlNumber:
MFCD16337524
Smiles:
OC(=O)c1cccnc1c1cccc(c1)C(F)(F)F
Complexity:
332
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCCc1cc(O)c(c(c1)OC)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCCc1cc(O)c(c(c1)OC)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc2c(o1)c(Cl)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc2c(o1)c(Cl)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__