AB48596
680-65-9 | Diethyl difluoromalonate
Manufacturer: A2B Chem
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CatalogNumber
AB48596
ChemicalName
Diethyl difluoromalonate
CasNumber
680-65-9
MolecularFormula
C7H10F2O4
MolecularWeight
196.1487
MdlNumber
MFCD00221617
Smiles
CCOC(=O)C(C(=O)OCC)(F)F
NscNumber
92219
Complexity
183
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
RotatableBondCount
6
Xlogp3
1.2
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CatalogNumber: AB48596
ChemicalName: Diethyl difluoromalonate
CasNumber: 680-65-9
MolecularFormula: C7H10F2O4
MolecularWeight: 196.1487
MdlNumber: MFCD00221617
Smiles: CCOC(=O)C(C(=O)OCC)(F)F
NscNumber: 92219
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
Xlogp3: 1.2
CatalogNumber:
AB48596
ChemicalName:
Diethyl difluoromalonate
CasNumber:
680-65-9
MolecularFormula:
C7H10F2O4
MolecularWeight:
196.1487
MdlNumber:
MFCD00221617
Smiles:
CCOC(=O)C(C(=O)OCC)(F)F
NscNumber:
92219
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccnc(n1)C(=O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccnc(n1)C(=O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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
NscNumber: __
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
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
NscNumber:
__
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
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
NscNumber: __
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
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
NscNumber:
__
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
-1