AI57650
861250-54-6 | Benzyl N-[4-(cyanomethyl)phenyl]carbamate
Manufacturer: A2B Chem
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CatalogNumber
AI57650
ChemicalName
Benzyl N-[4-(cyanomethyl)phenyl]carbamate
CasNumber
861250-54-6
MolecularFormula
C16H14N2O2
MolecularWeight
266.2946
MdlNumber
MFCD26398817
Smiles
N#CCc1ccc(cc1)NC(=O)OCc1ccccc1
Complexity
347
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AI57650
ChemicalName: Benzyl N-[4-(cyanomethyl)phenyl]carbamate
CasNumber: 861250-54-6
MolecularFormula: C16H14N2O2
MolecularWeight: 266.2946
MdlNumber: MFCD26398817
Smiles: N#CCc1ccc(cc1)NC(=O)OCc1ccccc1
Complexity: 347
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AI57650
ChemicalName:
Benzyl N-[4-(cyanomethyl)phenyl]carbamate
CasNumber:
861250-54-6
MolecularFormula:
C16H14N2O2
MolecularWeight:
266.2946
MdlNumber:
MFCD26398817
Smiles:
N#CCc1ccc(cc1)NC(=O)OCc1ccccc1
Complexity:
347
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc(cc(c1O)C)C(=O)O
Complexity: 249
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc(cc(c1O)C)C(=O)O
Complexity:
249
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(C)c(c(c1)N)O
Complexity: 195
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(C)c(c(c1)N)O
Complexity:
195
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.1
CatalogNumber: AI57653
ChemicalName: 5-bromo-1,4-dimethylimidazole
CasNumber: 861325-16-8
MolecularFormula: C5H7BrN2
MolecularWeight: 175.02648
MdlNumber: MFCD23378484
Smiles: Cn1cnc(c1Br)C
Complexity: 86.5
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AI57653
ChemicalName:
5-bromo-1,4-dimethylimidazole
CasNumber:
861325-16-8
MolecularFormula:
C5H7BrN2
MolecularWeight:
175.02648
MdlNumber:
MFCD23378484
Smiles:
Cn1cnc(c1Br)C
Complexity:
86.5
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4