AA30721
1255574-90-3 | t-Butyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
Manufacturer: A2B Chem
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CatalogNumber
AA30721
ChemicalName
t-Butyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber
1255574-90-3
MolecularFormula
C12H13N3O4
MolecularWeight
263.2493
MdlNumber
MFCD17214297
Smiles
N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C
Complexity
550
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AA30721
ChemicalName: t-Butyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber: 1255574-90-3
MolecularFormula: C12H13N3O4
MolecularWeight: 263.2493
MdlNumber: MFCD17214297
Smiles: N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C
Complexity: 550
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AA30721
ChemicalName:
t-Butyl 2-cyano-2-(5-nitropyridin-2(1H)-ylidene)acetate
CasNumber:
1255574-90-3
MolecularFormula:
C12H13N3O4
MolecularWeight:
263.2493
MdlNumber:
MFCD17214297
Smiles:
N#CC(=C1NC=C(C=C1)[N+](=O)[O-])C(=O)OC(C)(C)C
Complexity:
550
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1c(Cl)cc(cc1Br)N
Complexity: 147
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1c(Cl)cc(cc1Br)N
Complexity:
147
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: AA30723
ChemicalName: 1-Bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CasNumber: 1255574-72-1
MolecularFormula: C7H2BrCl2F3O
MolecularWeight: 309.8954
MdlNumber: MFCD17214263
Smiles: Clc1cc(Cl)c(cc1OC(F)(F)F)Br
Complexity: 202
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 5.1
CatalogNumber:
AA30723
ChemicalName:
1-Bromo-2,4-dichloro-5-(trifluoromethoxy)benzene
CasNumber:
1255574-72-1
MolecularFormula:
C7H2BrCl2F3O
MolecularWeight:
309.8954
MdlNumber:
MFCD17214263
Smiles:
Clc1cc(Cl)c(cc1OC(F)(F)F)Br
Complexity:
202
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
5.1
CatalogNumber: AA30724
ChemicalName: 5-Bromo-2-chloro-4-iodotoluene
CasNumber: 1255574-71-0
MolecularFormula: C7H5BrClI
MolecularWeight: 331.3761
MdlNumber: MFCD17926499
Smiles: Clc1cc(I)c(cc1C)Br
Complexity: 120
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.3
CatalogNumber:
AA30724
ChemicalName:
5-Bromo-2-chloro-4-iodotoluene
CasNumber:
1255574-71-0
MolecularFormula:
C7H5BrClI
MolecularWeight:
331.3761
MdlNumber:
MFCD17926499
Smiles:
Clc1cc(I)c(cc1C)Br
Complexity:
120
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.3