AB48598
933702-81-9 | 4-Chloro-2-methylpyrimidine-5-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48598
ChemicalName
4-Chloro-2-methylpyrimidine-5-carboxylic acid
CasNumber
933702-81-9
MolecularFormula
C6H5ClN2O2
MolecularWeight
172.5691
MdlNumber
MFCD10000835
Smiles
Cc1ncc(c(n1)Cl)C(=O)O
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AB48598
ChemicalName: 4-Chloro-2-methylpyrimidine-5-carboxylic acid
CasNumber: 933702-81-9
MolecularFormula: C6H5ClN2O2
MolecularWeight: 172.5691
MdlNumber: MFCD10000835
Smiles: Cc1ncc(c(n1)Cl)C(=O)O
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB48598
ChemicalName:
4-Chloro-2-methylpyrimidine-5-carboxylic acid
CasNumber:
933702-81-9
MolecularFormula:
C6H5ClN2O2
MolecularWeight:
172.5691
MdlNumber:
MFCD10000835
Smiles:
Cc1ncc(c(n1)Cl)C(=O)O
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB48599
ChemicalName: (R)-4-Amino-3-(4-chlorophenyl)butanoic acid
CasNumber: 69308-37-8
MolecularFormula: C10H12ClNO2
MolecularWeight: 213.6608
MdlNumber: MFCD01321057
Smiles: NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -1
CatalogNumber:
AB48599
ChemicalName:
(R)-4-Amino-3-(4-chlorophenyl)butanoic acid
CasNumber:
69308-37-8
MolecularFormula:
C10H12ClNO2
MolecularWeight:
213.6608
MdlNumber:
MFCD01321057
Smiles:
NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-1
CatalogNumber: __
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MolecularFormula: __
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Smiles: CC([Si](C(C)C)(O[Si](C(C)C)(C(C)C)Cl)Cl)C
Complexity: 203
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Smiles:
CC([Si](C(C)C)(O[Si](C(C)C)(C(C)C)Cl)Cl)C
Complexity:
203
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(NCC(=O)C)c(c(c2I)C(=O)NC)I)c(c(c1I)C(=O)[O-])I.[Na+]
Complexity: __
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HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(NCC(=O)C)c(c(c2I)C(=O)NC)I)c(c(c1I)C(=O)[O-])I.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__