AB05629
2047-49-6 | 5-Nitronicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB05629
ChemicalName
5-Nitronicotinic acid
CasNumber
2047-49-6
MolecularFormula
C6H4N2O4
MolecularWeight
168.107
MdlNumber
MFCD04038690
Smiles
OC(=O)c1cncc(c1)[N+](=O)[O-]
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.2
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CatalogNumber: AB05629
ChemicalName: 5-Nitronicotinic acid
CasNumber: 2047-49-6
MolecularFormula: C6H4N2O4
MolecularWeight: 168.107
MdlNumber: MFCD04038690
Smiles: OC(=O)c1cncc(c1)[N+](=O)[O-]
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.2
CatalogNumber:
AB05629
ChemicalName:
5-Nitronicotinic acid
CasNumber:
2047-49-6
MolecularFormula:
C6H4N2O4
MolecularWeight:
168.107
MdlNumber:
MFCD04038690
Smiles:
OC(=O)c1cncc(c1)[N+](=O)[O-]
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1cc(C)c(c(c1)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1cc(C)c(c(c1)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N[C@H](C(=O)O)Cc1ccc(cc1)SC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)SC(C)(C)C)OCC1c2ccccc2c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB05634
ChemicalName: Fmoc-l-4-aminomethylphenylalanine(boc)
CasNumber: 204715-91-3
MolecularFormula: C30H32N2O6
MolecularWeight: 516.5848799999999
MdlNumber: MFCD01317015
Smiles: O=C(N[C@H](C(=O)O)Cc1ccc(cc1)CNC(=O)OC(C)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity: 796
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 11
Xlogp3: 5.1
CatalogNumber:
AB05634
ChemicalName:
Fmoc-l-4-aminomethylphenylalanine(boc)
CasNumber:
204715-91-3
MolecularFormula:
C30H32N2O6
MolecularWeight:
516.5848799999999
MdlNumber:
MFCD01317015
Smiles:
O=C(N[C@H](C(=O)O)Cc1ccc(cc1)CNC(=O)OC(C)(C)C)OCC1c2ccccc2-c2c1cccc2
Complexity:
796
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
11
Xlogp3:
5.1