AD70336
103261-67-2 | Methyl 4-cyano-2-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD70336
ChemicalName
Methyl 4-cyano-2-methylbenzoate
CasNumber
103261-67-2
MolecularFormula
C10H9NO2
MolecularWeight
175.18395999999998
MdlNumber
MFCD18399110
Smiles
COC(=O)c1ccc(cc1C)C#N
Complexity
241
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AD70336
ChemicalName: Methyl 4-cyano-2-methylbenzoate
CasNumber: 103261-67-2
MolecularFormula: C10H9NO2
MolecularWeight: 175.18395999999998
MdlNumber: MFCD18399110
Smiles: COC(=O)c1ccc(cc1C)C#N
Complexity: 241
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AD70336
ChemicalName:
Methyl 4-cyano-2-methylbenzoate
CasNumber:
103261-67-2
MolecularFormula:
C10H9NO2
MolecularWeight:
175.18395999999998
MdlNumber:
MFCD18399110
Smiles:
COC(=O)c1ccc(cc1C)C#N
Complexity:
241
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CC[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CC[C@@H]2[C@H]1[C@@H]1CC[C@@H]2C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD70349
ChemicalName: D-(-)-Arabinose
CasNumber: 10323-20-3
MolecularFormula: C5H10O5
MolecularWeight: 150.1299
MdlNumber: MFCD00135608
Smiles: OC[C@H]([C@H]([C@@H](C=O)O)O)O
Complexity: 104
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: -2.3
CatalogNumber:
AD70349
ChemicalName:
D-(-)-Arabinose
CasNumber:
10323-20-3
MolecularFormula:
C5H10O5
MolecularWeight:
150.1299
MdlNumber:
MFCD00135608
Smiles:
OC[C@H]([C@H]([C@@H](C=O)O)O)O
Complexity:
104
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
-2.3
CatalogNumber: AD70352
ChemicalName: 3-Bromo-2-cyanophenylboronic acid
CasNumber: 1032231-32-5
MolecularFormula: C7H5BBrNO2
MolecularWeight: 225.8351
MdlNumber: MFCD10696672
Smiles: N#Cc1c(Br)cccc1B(O)O
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AD70352
ChemicalName:
3-Bromo-2-cyanophenylboronic acid
CasNumber:
1032231-32-5
MolecularFormula:
C7H5BBrNO2
MolecularWeight:
225.8351
MdlNumber:
MFCD10696672
Smiles:
N#Cc1c(Br)cccc1B(O)O
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__