AB53005
223671-71-4 | 1-Chloroisoquinoline-5-carboxylic acid hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AB53005
ChemicalName
1-Chloroisoquinoline-5-carboxylic acid hydrochloride
CasNumber
223671-71-4
MolecularFormula
C10H7Cl2NO2
MolecularWeight
244.0741
MdlNumber
MFCD13151993
Smiles
OC(=O)c1cccc2c1ccnc2Cl.Cl
Complexity
234
Covalently-bondedUnitCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
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CatalogNumber: AB53005
ChemicalName: 1-Chloroisoquinoline-5-carboxylic acid hydrochloride
CasNumber: 223671-71-4
MolecularFormula: C10H7Cl2NO2
MolecularWeight: 244.0741
MdlNumber: MFCD13151993
Smiles: OC(=O)c1cccc2c1ccnc2Cl.Cl
Complexity: 234
Covalently-bondedUnitCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB53005
ChemicalName:
1-Chloroisoquinoline-5-carboxylic acid hydrochloride
CasNumber:
223671-71-4
MolecularFormula:
C10H7Cl2NO2
MolecularWeight:
244.0741
MdlNumber:
MFCD13151993
Smiles:
OC(=O)c1cccc2c1ccnc2Cl.Cl
Complexity:
234
Covalently-bondedUnitCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AB53006
ChemicalName: (2S)-Pentan-2-amine hydrochloride
CasNumber: 216237-52-4
MolecularFormula: C5H14ClN
MolecularWeight: 123.6244
MdlNumber: MFCD28166282
Smiles: CCC[C@@H](N)C.Cl
Complexity: 27.1
Covalently-bondedUnitCount: 2
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AB53006
ChemicalName:
(2S)-Pentan-2-amine hydrochloride
CasNumber:
216237-52-4
MolecularFormula:
C5H14ClN
MolecularWeight:
123.6244
MdlNumber:
MFCD28166282
Smiles:
CCC[C@@H](N)C.Cl
Complexity:
27.1
Covalently-bondedUnitCount:
2
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc2c(n1)[nH]cc2C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc2c(n1)[nH]cc2C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: AB53008
ChemicalName: Nilotinib hcl monohydrate
CasNumber: 923288-90-8
MolecularFormula: C28H25ClF3N7O2
MolecularWeight: 583.992
MdlNumber: MFCD16038432
Smiles: Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F.Cl.O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB53008
ChemicalName:
Nilotinib hcl monohydrate
CasNumber:
923288-90-8
MolecularFormula:
C28H25ClF3N7O2
MolecularWeight:
583.992
MdlNumber:
MFCD16038432
Smiles:
Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F.Cl.O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__