AA55376
1221794-83-7 | (Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
Manufacturer: A2B Chem
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CatalogNumber
AA55376
ChemicalName
(Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber
1221794-83-7
MolecularFormula
C9H7N3O4
MolecularWeight
221.1696
MdlNumber
MFCD16036153
Smiles
N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC
Complexity
473
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AA55376
ChemicalName: (Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber: 1221794-83-7
MolecularFormula: C9H7N3O4
MolecularWeight: 221.1696
MdlNumber: MFCD16036153
Smiles: N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC
Complexity: 473
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AA55376
ChemicalName:
(Z)-Methyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber:
1221794-83-7
MolecularFormula:
C9H7N3O4
MolecularWeight:
221.1696
MdlNumber:
MFCD16036153
Smiles:
N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC
Complexity:
473
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: AA55377
ChemicalName: 2-(2,6-Dibromo-4-nitrophenoxy)acetonitrile
CasNumber: 1221793-70-9
MolecularFormula: C8H4Br2N2O3
MolecularWeight: 335.937
MdlNumber: MFCD16036125
Smiles: N#CCOc1c(Br)cc(cc1Br)[N+](=O)[O-]
Complexity: 273
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AA55377
ChemicalName:
2-(2,6-Dibromo-4-nitrophenoxy)acetonitrile
CasNumber:
1221793-70-9
MolecularFormula:
C8H4Br2N2O3
MolecularWeight:
335.937
MdlNumber:
MFCD16036125
Smiles:
N#CCOc1c(Br)cc(cc1Br)[N+](=O)[O-]
Complexity:
273
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AA55378
ChemicalName: 2-(5-Bromo-2-methoxyphenoxy)acetonitrile
CasNumber: 1221793-69-6
MolecularFormula: C9H8BrNO2
MolecularWeight: 242.0693
MdlNumber: MFCD16036123
Smiles: COc1ccc(cc1OCC#N)Br
Complexity: 201
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AA55378
ChemicalName:
2-(5-Bromo-2-methoxyphenoxy)acetonitrile
CasNumber:
1221793-69-6
MolecularFormula:
C9H8BrNO2
MolecularWeight:
242.0693
MdlNumber:
MFCD16036123
Smiles:
COc1ccc(cc1OCC#N)Br
Complexity:
201
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(Cl)c[n+](c1)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc(Cl)c[n+](c1)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__