AI38777
1699750-17-8 | N-[2-Nitro-5-(trifluoromethyl)phenyl]aminoacetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI38777
ChemicalName
N-[2-Nitro-5-(trifluoromethyl)phenyl]aminoacetic acid
CasNumber
1699750-17-8
MolecularFormula
C9H7F3N2O4
MolecularWeight
264.1581
MdlNumber
MFCD28143921
Smiles
OC(=O)CNc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity
329
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AI38777
ChemicalName: N-[2-Nitro-5-(trifluoromethyl)phenyl]aminoacetic acid
CasNumber: 1699750-17-8
MolecularFormula: C9H7F3N2O4
MolecularWeight: 264.1581
MdlNumber: MFCD28143921
Smiles: OC(=O)CNc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity: 329
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AI38777
ChemicalName:
N-[2-Nitro-5-(trifluoromethyl)phenyl]aminoacetic acid
CasNumber:
1699750-17-8
MolecularFormula:
C9H7F3N2O4
MolecularWeight:
264.1581
MdlNumber:
MFCD28143921
Smiles:
OC(=O)CNc1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity:
329
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)c(c(c1F)Br)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)c(c(c1F)Br)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@@H]1CNCCN1C(=O)OC(C)(C)C
Complexity: 211
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@@H]1CNCCN1C(=O)OC(C)(C)C
Complexity:
211
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[C@H](CN(C(=O)[C@@H](N)C)Cc1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[C@H](CN(C(=O)[C@@H](N)C)Cc1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__