AB48668
98592-34-8 | Methyl 2-chloro-4-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB48668
ChemicalName
Methyl 2-chloro-4-cyanobenzoate
CasNumber
98592-34-8
MolecularFormula
C9H6ClNO2
MolecularWeight
195.6024
MdlNumber
MFCD14635863
Smiles
COC(=O)c1ccc(cc1Cl)C#N
Complexity
245
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AB48668
ChemicalName: Methyl 2-chloro-4-cyanobenzoate
CasNumber: 98592-34-8
MolecularFormula: C9H6ClNO2
MolecularWeight: 195.6024
MdlNumber: MFCD14635863
Smiles: COC(=O)c1ccc(cc1Cl)C#N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB48668
ChemicalName:
Methyl 2-chloro-4-cyanobenzoate
CasNumber:
98592-34-8
MolecularFormula:
C9H6ClNO2
MolecularWeight:
195.6024
MdlNumber:
MFCD14635863
Smiles:
COC(=O)c1ccc(cc1Cl)C#N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cnc2c(c1)cc[nH]2
Complexity: 129
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cnc2c(c1)cc[nH]2
Complexity:
129
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AB48670
ChemicalName: 3,4-Methylenedioxyphenylboronic acid
CasNumber: 94839-07-3
MolecularFormula: C7H7BO4
MolecularWeight: 165.9391
MdlNumber: MFCD01009695
Smiles: OB(c1ccc2c(c1)OCO2)O
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB48670
ChemicalName:
3,4-Methylenedioxyphenylboronic acid
CasNumber:
94839-07-3
MolecularFormula:
C7H7BO4
MolecularWeight:
165.9391
MdlNumber:
MFCD01009695
Smiles:
OB(c1ccc2c(c1)OCO2)O
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB48671
ChemicalName: 2,4,5-Trichloro-6-methylpyrimidine
CasNumber: 6554-69-4
MolecularFormula: C5H3Cl3N2
MolecularWeight: 197.4497
MdlNumber: MFCD01103615
Smiles: Clc1nc(C)c(c(n1)Cl)Cl
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AB48671
ChemicalName:
2,4,5-Trichloro-6-methylpyrimidine
CasNumber:
6554-69-4
MolecularFormula:
C5H3Cl3N2
MolecularWeight:
197.4497
MdlNumber:
MFCD01103615
Smiles:
Clc1nc(C)c(c(n1)Cl)Cl
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
3.2