AI53885
623569-57-3 | 3-Cyano-N-isopropylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AI53885
ChemicalName
3-Cyano-N-isopropylbenzamide
CasNumber
623569-57-3
MolecularFormula
C11H12N2O
MolecularWeight
188.2258
MdlNumber
MFCD09940478
Smiles
N#Cc1cccc(c1)C(=O)NC(C)C
Complexity
251
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AI53885
ChemicalName: 3-Cyano-N-isopropylbenzamide
CasNumber: 623569-57-3
MolecularFormula: C11H12N2O
MolecularWeight: 188.2258
MdlNumber: MFCD09940478
Smiles: N#Cc1cccc(c1)C(=O)NC(C)C
Complexity: 251
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AI53885
ChemicalName:
3-Cyano-N-isopropylbenzamide
CasNumber:
623569-57-3
MolecularFormula:
C11H12N2O
MolecularWeight:
188.2258
MdlNumber:
MFCD09940478
Smiles:
N#Cc1cccc(c1)C(=O)NC(C)C
Complexity:
251
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1cc2c(s1)CCOC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cc2c(s1)CCOC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H]1C[C@@H](CN1)F.Cl
Complexity: 78.8
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H]1C[C@@H](CN1)F.Cl
Complexity:
78.8
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI53888
ChemicalName: ((2S,4R)-4-Fluoropyrrolidin-2-yl)methanol hydrochloride
CasNumber: 623583-09-5
MolecularFormula: C5H11ClFNO
MolecularWeight: 155.5983432
MdlNumber: MFCD28119074
Smiles: OC[C@@H]1C[C@H](CN1)F.Cl
Complexity: 78.8
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AI53888
ChemicalName:
((2S,4R)-4-Fluoropyrrolidin-2-yl)methanol hydrochloride
CasNumber:
623583-09-5
MolecularFormula:
C5H11ClFNO
MolecularWeight:
155.5983432
MdlNumber:
MFCD28119074
Smiles:
OC[C@@H]1C[C@H](CN1)F.Cl
Complexity:
78.8
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
Xlogp3:
__