AB00013
177476-75-4 | 3-Methoxy-4-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB00013
ChemicalName
3-Methoxy-4-nitrobenzonitrile
CasNumber
177476-75-4
MolecularFormula
C8H6N2O3
MolecularWeight
178.1448
MdlNumber
MFCD11977368
Smiles
COc1cc(C#N)ccc1[N+](=O)[O-]
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.4
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CatalogNumber: AB00013
ChemicalName: 3-Methoxy-4-nitrobenzonitrile
CasNumber: 177476-75-4
MolecularFormula: C8H6N2O3
MolecularWeight: 178.1448
MdlNumber: MFCD11977368
Smiles: COc1cc(C#N)ccc1[N+](=O)[O-]
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AB00013
ChemicalName:
3-Methoxy-4-nitrobenzonitrile
CasNumber:
177476-75-4
MolecularFormula:
C8H6N2O3
MolecularWeight:
178.1448
MdlNumber:
MFCD11977368
Smiles:
COc1cc(C#N)ccc1[N+](=O)[O-]
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3N1CCN(CC1)C)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cn2[C@@H](C)COc3c2c(c1=O)cc(c3N1CCN(CC1)C)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB00016
ChemicalName: (R)-2-Amino-1,1,1-trifluoropropane HCl
CasNumber: 177469-12-4
MolecularFormula: C3H7ClF3N
MolecularWeight: 149.5426
MdlNumber: MFCD07779095
Smiles: C[C@H](C(F)(F)F)N.Cl
Complexity: 57.7
Covalently-bondedUnitCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB00016
ChemicalName:
(R)-2-Amino-1,1,1-trifluoropropane HCl
CasNumber:
177469-12-4
MolecularFormula:
C3H7ClF3N
MolecularWeight:
149.5426
MdlNumber:
MFCD07779095
Smiles:
C[C@H](C(F)(F)F)N.Cl
Complexity:
57.7
Covalently-bondedUnitCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)c2c(c1)O[C@]1([C@@H]([C@]2(O)[C@@H]([C@H]1c1ccccc1)C(=O)N1CCC[C@H]1NC(=O)[C@H](CC)C)O)c1ccc(cc1)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)c2c(c1)O[C@]1([C@@H]([C@]2(O)[C@@H]([C@H]1c1ccccc1)C(=O)N1CCC[C@H]1NC(=O)[C@H](CC)C)O)c1ccc(cc1)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__