AB65451
621-44-3 | 3-Nitro-L-Tyrosine
Manufacturer: A2B Chem
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CatalogNumber
AB65451
ChemicalName
3-Nitro-L-Tyrosine
CasNumber
621-44-3
MolecularFormula
C9H10N2O5
MolecularWeight
226.1861
MdlNumber
MFCD00007123
Smiles
OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N
Complexity
278
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
3
Xlogp3
-2
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CatalogNumber: AB65451
ChemicalName: 3-Nitro-L-Tyrosine
CasNumber: 621-44-3
MolecularFormula: C9H10N2O5
MolecularWeight: 226.1861
MdlNumber: MFCD00007123
Smiles: OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N
Complexity: 278
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 3
Xlogp3: -2
CatalogNumber:
AB65451
ChemicalName:
3-Nitro-L-Tyrosine
CasNumber:
621-44-3
MolecularFormula:
C9H10N2O5
MolecularWeight:
226.1861
MdlNumber:
MFCD00007123
Smiles:
OC(=O)[C@H](Cc1ccc(c(c1)[N+](=O)[O-])O)N
Complexity:
278
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
3
Xlogp3:
-2
CatalogNumber: AB65452
ChemicalName: N-(3-Hydroxypropyl) 4-hydroxy-2-nitroaniline
CasNumber: 92952-81-3
MolecularFormula: C9H12N2O4
MolecularWeight: 212.2026
MdlNumber: MFCD07368637
Smiles: OCCCNc1ccc(cc1[N+](=O)[O-])O
Complexity: 207
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AB65452
ChemicalName:
N-(3-Hydroxypropyl) 4-hydroxy-2-nitroaniline
CasNumber:
92952-81-3
MolecularFormula:
C9H12N2O4
MolecularWeight:
212.2026
MdlNumber:
MFCD07368637
Smiles:
OCCCNc1ccc(cc1[N+](=O)[O-])O
Complexity:
207
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: AB65453
ChemicalName: N-Methyl-3-nitroaniline
CasNumber: 619-26-1
MolecularFormula: C7H8N2O2
MolecularWeight: 152.15062000000003
MdlNumber: MFCD00963641
Smiles: CNc1cccc(c1)[N+](=O)[O-]
Complexity: 144
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AB65453
ChemicalName:
N-Methyl-3-nitroaniline
CasNumber:
619-26-1
MolecularFormula:
C7H8N2O2
MolecularWeight:
152.15062000000003
MdlNumber:
MFCD00963641
Smiles:
CNc1cccc(c1)[N+](=O)[O-]
Complexity:
144
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)c1cccc(c1)[N+](=O)[O-].Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)c1cccc(c1)[N+](=O)[O-].Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__