AB48033
865758-95-8 | 2-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB48033
ChemicalName
2-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
CasNumber
865758-95-8
MolecularFormula
C12H8ClN3O2
MolecularWeight
261.6638
MdlNumber
MFCD09907853
Smiles
N#Cc1ccccc1Cn1c(Cl)cc(=O)[nH]c1=O
Complexity
452
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.3
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CatalogNumber: AB48033
ChemicalName: 2-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
CasNumber: 865758-95-8
MolecularFormula: C12H8ClN3O2
MolecularWeight: 261.6638
MdlNumber: MFCD09907853
Smiles: N#Cc1ccccc1Cn1c(Cl)cc(=O)[nH]c1=O
Complexity: 452
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.3
CatalogNumber:
AB48033
ChemicalName:
2-((6-Chloro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
CasNumber:
865758-95-8
MolecularFormula:
C12H8ClN3O2
MolecularWeight:
261.6638
MdlNumber:
MFCD09907853
Smiles:
N#Cc1ccccc1Cn1c(Cl)cc(=O)[nH]c1=O
Complexity:
452
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.3
CatalogNumber: AB48034
ChemicalName: Methyl 2-chlorothiazole-4-carboxylate
CasNumber: 850429-61-7
MolecularFormula: C5H4ClNO2S
MolecularWeight: 177.6088
MdlNumber: MFCD06659909
Smiles: COC(=O)c1csc(n1)Cl
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB48034
ChemicalName:
Methyl 2-chlorothiazole-4-carboxylate
CasNumber:
850429-61-7
MolecularFormula:
C5H4ClNO2S
MolecularWeight:
177.6088
MdlNumber:
MFCD06659909
Smiles:
COC(=O)c1csc(n1)Cl
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: AB48036
ChemicalName: 3-Bromo-5-methoxyphenylboronic acid
CasNumber: 849062-12-0
MolecularFormula: C7H8BBrO3
MolecularWeight: 230.8516
MdlNumber: MFCD07369759
Smiles: COc1cc(Br)cc(c1)B(O)O
Complexity: 145
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB48036
ChemicalName:
3-Bromo-5-methoxyphenylboronic acid
CasNumber:
849062-12-0
MolecularFormula:
C7H8BBrO3
MolecularWeight:
230.8516
MdlNumber:
MFCD07369759
Smiles:
COc1cc(Br)cc(c1)B(O)O
Complexity:
145
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB48037
ChemicalName: 3-(1H-Pyrazol-3-yl)benzoic acid
CasNumber: 850375-11-0
MolecularFormula: C10H8N2O2
MolecularWeight: 188.1827
MdlNumber: MFCD03407956
Smiles: OC(=O)c1cccc(c1)c1ccn[nH]1
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AB48037
ChemicalName:
3-(1H-Pyrazol-3-yl)benzoic acid
CasNumber:
850375-11-0
MolecularFormula:
C10H8N2O2
MolecularWeight:
188.1827
MdlNumber:
MFCD03407956
Smiles:
OC(=O)c1cccc(c1)c1ccn[nH]1
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4