AA50104
137088-51-8 | 1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA50104
ChemicalName
1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid
CasNumber
137088-51-8
MolecularFormula
C14H17NO4
MolecularWeight
263.2891
MdlNumber
MFCD02682411
Smiles
OC(=O)C1Cc2c(N1C(=O)OC(C)(C)C)cccc2
Complexity
374
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.3
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CatalogNumber: AA50104
ChemicalName: 1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid
CasNumber: 137088-51-8
MolecularFormula: C14H17NO4
MolecularWeight: 263.2891
MdlNumber: MFCD02682411
Smiles: OC(=O)C1Cc2c(N1C(=O)OC(C)(C)C)cccc2
Complexity: 374
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.3
CatalogNumber:
AA50104
ChemicalName:
1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid
CasNumber:
137088-51-8
MolecularFormula:
C14H17NO4
MolecularWeight:
263.2891
MdlNumber:
MFCD02682411
Smiles:
OC(=O)C1Cc2c(N1C(=O)OC(C)(C)C)cccc2
Complexity:
374
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(F)(F)F)Nc1cccc(c1)C(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(F)(F)F)Nc1cccc(c1)C(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1CC1(F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1CC1(F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AA50109
ChemicalName: 1-Fluorocyclopropane-1-carboxylic acid
CasNumber: 137081-41-5
MolecularFormula: C4H5FO2
MolecularWeight: 104.0797
MdlNumber: MFCD18205954
Smiles: OC(=O)C1(F)CC1
Complexity: 106
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 0.5
CatalogNumber:
AA50109
ChemicalName:
1-Fluorocyclopropane-1-carboxylic acid
CasNumber:
137081-41-5
MolecularFormula:
C4H5FO2
MolecularWeight:
104.0797
MdlNumber:
MFCD18205954
Smiles:
OC(=O)C1(F)CC1
Complexity:
106
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.5