AA64847
146621-92-3 | N-Boc-2-(3-trifluoromethyl-phenyl)-dl-glycine
Manufacturer: A2B Chem
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CatalogNumber
AA64847
ChemicalName
N-Boc-2-(3-trifluoromethyl-phenyl)-dl-glycine
CasNumber
146621-92-3
MolecularFormula
C14H16F3NO4
MolecularWeight
319.2763
MdlNumber
MFCD07388839
Smiles
O=C(OC(C)(C)C)NC(c1cccc(c1)C(F)(F)F)C(=O)O
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
3.1
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CatalogNumber: AA64847
ChemicalName: N-Boc-2-(3-trifluoromethyl-phenyl)-dl-glycine
CasNumber: 146621-92-3
MolecularFormula: C14H16F3NO4
MolecularWeight: 319.2763
MdlNumber: MFCD07388839
Smiles: O=C(OC(C)(C)C)NC(c1cccc(c1)C(F)(F)F)C(=O)O
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.1
CatalogNumber:
AA64847
ChemicalName:
N-Boc-2-(3-trifluoromethyl-phenyl)-dl-glycine
CasNumber:
146621-92-3
MolecularFormula:
C14H16F3NO4
MolecularWeight:
319.2763
MdlNumber:
MFCD07388839
Smiles:
O=C(OC(C)(C)C)NC(c1cccc(c1)C(F)(F)F)C(=O)O
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.1
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Smiles: C[C@H](NC(=O)OC(C)(C)C)CN=[N+]=[N-]
Complexity: __
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Smiles:
C[C@H](NC(=O)OC(C)(C)C)CN=[N+]=[N-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: OC(=O)[C@H](Cc1c[nH]c2c1cccn2)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H](Cc1c[nH]c2c1cccn2)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCCN1C(=O)OC(C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCCN1C(=O)OC(C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__