AF60961
36635-66-2 | (1-Phenyl-1-tosyl)methyl isocyanide
Manufacturer: A2B Chem
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CatalogNumber
AF60961
ChemicalName
(1-Phenyl-1-tosyl)methyl isocyanide
CasNumber
36635-66-2
MolecularFormula
C15H13NO2S
MolecularWeight
271.33422
MdlNumber
MFCD04114776
Smiles
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Complexity
429
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3
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CatalogNumber: AF60961
ChemicalName: (1-Phenyl-1-tosyl)methyl isocyanide
CasNumber: 36635-66-2
MolecularFormula: C15H13NO2S
MolecularWeight: 271.33422
MdlNumber: MFCD04114776
Smiles: [C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Complexity: 429
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3
CatalogNumber:
AF60961
ChemicalName:
(1-Phenyl-1-tosyl)methyl isocyanide
CasNumber:
36635-66-2
MolecularFormula:
C15H13NO2S
MolecularWeight:
271.33422
MdlNumber:
MFCD04114776
Smiles:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccccc1
Complexity:
429
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3
CatalogNumber: AF60962
ChemicalName: (3-Bromobenzoyl)pyrrolidine
CasNumber: 346721-91-3
MolecularFormula: C11H12BrNO
MolecularWeight: 254.1231
MdlNumber: MFCD00592553
Smiles: Brc1cccc(c1)C(=O)N1CCCC1
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 2.6
CatalogNumber:
AF60962
ChemicalName:
(3-Bromobenzoyl)pyrrolidine
CasNumber:
346721-91-3
MolecularFormula:
C11H12BrNO
MolecularWeight:
254.1231
MdlNumber:
MFCD00592553
Smiles:
Brc1cccc(c1)C(=O)N1CCCC1
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.6
CatalogNumber: AF60963
ChemicalName: (E)-Ethyl 3-iodoacrylate
CasNumber: 31930-37-7
MolecularFormula: C5H7IO2
MolecularWeight: 226.0124
MdlNumber: MFCD11519164
Smiles: CCOC(=O)/C=C/I
Complexity: 98.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 1.6
CatalogNumber:
AF60963
ChemicalName:
(E)-Ethyl 3-iodoacrylate
CasNumber:
31930-37-7
MolecularFormula:
C5H7IO2
MolecularWeight:
226.0124
MdlNumber:
MFCD11519164
Smiles:
CCOC(=O)/C=C/I
Complexity:
98.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccccc1n1cccn1
Complexity: 152
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccccc1n1cccn1
Complexity:
152
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.3