AB49437
26947-41-1 | 3-Isoquinolinecarbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB49437
ChemicalName
3-Isoquinolinecarbonitrile
CasNumber
26947-41-1
MolecularFormula
C10H6N2
MolecularWeight
154.168
MdlNumber
MFCD00075136
Smiles
N#Cc1ncc2c(c1)cccc2
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
Xlogp3
2.2
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CatalogNumber: AB49437
ChemicalName: 3-Isoquinolinecarbonitrile
CasNumber: 26947-41-1
MolecularFormula: C10H6N2
MolecularWeight: 154.168
MdlNumber: MFCD00075136
Smiles: N#Cc1ncc2c(c1)cccc2
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
Xlogp3: 2.2
CatalogNumber:
AB49437
ChemicalName:
3-Isoquinolinecarbonitrile
CasNumber:
26947-41-1
MolecularFormula:
C10H6N2
MolecularWeight:
154.168
MdlNumber:
MFCD00075136
Smiles:
N#Cc1ncc2c(c1)cccc2
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
Xlogp3:
2.2
CatalogNumber: AB49438
ChemicalName: 2-Hydroxyphenylboronic acid, pinacol ester
CasNumber: 269409-97-4
MolecularFormula: C12H17BO3
MolecularWeight: 220.0726
MdlNumber: MFCD02093754
Smiles: Oc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
Xlogp3: __
CatalogNumber:
AB49438
ChemicalName:
2-Hydroxyphenylboronic acid, pinacol ester
CasNumber:
269409-97-4
MolecularFormula:
C12H17BO3
MolecularWeight:
220.0726
MdlNumber:
MFCD02093754
Smiles:
Oc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
Xlogp3:
__
CatalogNumber: AB49439
ChemicalName: Selumetinib
CasNumber: 606143-52-6
MolecularFormula: C17H15BrClFN4O3
MolecularWeight: 457.6814
MdlNumber: MFCD11977472
Smiles: OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F
Complexity: 523
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 6
Xlogp3: 3.6
CatalogNumber:
AB49439
ChemicalName:
Selumetinib
CasNumber:
606143-52-6
MolecularFormula:
C17H15BrClFN4O3
MolecularWeight:
457.6814
MdlNumber:
MFCD11977472
Smiles:
OCCONC(=O)c1cc2n(C)cnc2c(c1Nc1ccc(cc1Cl)Br)F
Complexity:
523
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
6
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc2c1CCC2
Complexity: 188
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc2c1CCC2
Complexity:
188
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
2.3