AB16389
189161-09-9 | 3-Chloro-5-methylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AB16389
ChemicalName
3-Chloro-5-methylbenzonitrile
CasNumber
189161-09-9
MolecularFormula
C8H6ClN
MolecularWeight
151.5929
MdlNumber
MFCD09800704
Smiles
N#Cc1cc(C)cc(c1)Cl
Complexity
158
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
Xlogp3
2.6
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CatalogNumber: AB16389
ChemicalName: 3-Chloro-5-methylbenzonitrile
CasNumber: 189161-09-9
MolecularFormula: C8H6ClN
MolecularWeight: 151.5929
MdlNumber: MFCD09800704
Smiles: N#Cc1cc(C)cc(c1)Cl
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
Xlogp3: 2.6
CatalogNumber:
AB16389
ChemicalName:
3-Chloro-5-methylbenzonitrile
CasNumber:
189161-09-9
MolecularFormula:
C8H6ClN
MolecularWeight:
151.5929
MdlNumber:
MFCD09800704
Smiles:
N#Cc1cc(C)cc(c1)Cl
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCN(C(=O)OC(C)(C)C)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCN(C(=O)OC(C)(C)C)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@@H]1CC[C@H](CC1)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AB16410
ChemicalName: Naringin dihydrochalcone
CasNumber: 18916-17-1
MolecularFormula: C27H34O14
MolecularWeight: 582.5505
MdlNumber: MFCD00798060
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity: 827
Covalently-bondedUnitCount: 1
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 14
Xlogp3: -0.3
CatalogNumber:
AB16410
ChemicalName:
Naringin dihydrochalcone
CasNumber:
18916-17-1
MolecularFormula:
C27H34O14
MolecularWeight:
582.5505
MdlNumber:
MFCD00798060
Smiles:
OC[C@H]1O[C@@H](Oc2cc(O)c(c(c2)O)C(=O)CCc2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O
Complexity:
827
Covalently-bondedUnitCount:
1
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
14
Xlogp3:
-0.3