AB48773
64169-67-1 | 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB48773
ChemicalName
1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
CasNumber
64169-67-1
MolecularFormula
C15H10FNO
MolecularWeight
239.2444
MdlNumber
MFCD06200812
Smiles
N#Cc1ccc2c(c1)COC2c1ccc(cc1)F
Complexity
342
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AB48773
ChemicalName: 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
CasNumber: 64169-67-1
MolecularFormula: C15H10FNO
MolecularWeight: 239.2444
MdlNumber: MFCD06200812
Smiles: N#Cc1ccc2c(c1)COC2c1ccc(cc1)F
Complexity: 342
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AB48773
ChemicalName:
1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
CasNumber:
64169-67-1
MolecularFormula:
C15H10FNO
MolecularWeight:
239.2444
MdlNumber:
MFCD06200812
Smiles:
N#Cc1ccc2c(c1)COC2c1ccc(cc1)F
Complexity:
342
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.7
CatalogNumber: AB48774
ChemicalName: (S)-2-(tert-Butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
CasNumber: 623950-02-7
MolecularFormula: C17H24N2O5
MolecularWeight: 336.3829
MdlNumber: MFCD20528368
Smiles: OC(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
Complexity: 474
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
Xlogp3: 2.1
CatalogNumber:
AB48774
ChemicalName:
(S)-2-(tert-Butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid
CasNumber:
623950-02-7
MolecularFormula:
C17H24N2O5
MolecularWeight:
336.3829
MdlNumber:
MFCD20528368
Smiles:
OC(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
Complexity:
474
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.1
CatalogNumber: AB48775
ChemicalName: Boc-D-Trp(For)-OH
CasNumber: 64905-10-8
MolecularFormula: C17H20N2O5
MolecularWeight: 332.3511
MdlNumber: MFCD00038004
Smiles: O=Cn1cc(c2c1cccc2)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity: 488
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
RotatableBondCount: 6
UndefinedAtomStereocenterCount: __
Xlogp3: 2.5
CatalogNumber:
AB48775
ChemicalName:
Boc-D-Trp(For)-OH
CasNumber:
64905-10-8
MolecularFormula:
C17H20N2O5
MolecularWeight:
332.3511
MdlNumber:
MFCD00038004
Smiles:
O=Cn1cc(c2c1cccc2)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
Complexity:
488
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)CN=[N+]=[N-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)CN=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__