AI65934
99585-12-3 | 4-Chloro-2-methyl-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AI65934
ChemicalName
4-Chloro-2-methyl-benzoic acid methyl ester
CasNumber
99585-12-3
MolecularFormula
C9H9ClO2
MolecularWeight
184.6196
MdlNumber
MFCD09842344
Smiles
COC(=O)c1ccc(cc1C)Cl
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AI65934
ChemicalName: 4-Chloro-2-methyl-benzoic acid methyl ester
CasNumber: 99585-12-3
MolecularFormula: C9H9ClO2
MolecularWeight: 184.6196
MdlNumber: MFCD09842344
Smiles: COC(=O)c1ccc(cc1C)Cl
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AI65934
ChemicalName:
4-Chloro-2-methyl-benzoic acid methyl ester
CasNumber:
99585-12-3
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.6196
MdlNumber:
MFCD09842344
Smiles:
COC(=O)c1ccc(cc1C)Cl
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: AI65936
ChemicalName: 2-Amino-4-chloro-6-methylpyrimidine-5-carbonitrile
CasNumber: 99586-66-0
MolecularFormula: C6H5ClN4
MolecularWeight: 168.5837
MdlNumber: MFCD20704020
Smiles: N#Cc1c(C)nc(nc1Cl)N
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AI65936
ChemicalName:
2-Amino-4-chloro-6-methylpyrimidine-5-carbonitrile
CasNumber:
99586-66-0
MolecularFormula:
C6H5ClN4
MolecularWeight:
168.5837
MdlNumber:
MFCD20704020
Smiles:
N#Cc1c(C)nc(nc1Cl)N
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1csc2c1cccc2Cl.[O-][N+](=O)O
Complexity: 513
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(c(c1)Cl)C(Cn1ccnc1)OCc1csc2c1cccc2Cl.[O-][N+](=O)O
Complexity:
513
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(=O)NCc1nc(nn1c1ccc(cc1C(=O)c1ccccc1Cl)Cl)C(=O)N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__