AB17468
206986-79-0 | Chlorhexidine diacetate hydrate
Manufacturer: A2B Chem
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CatalogNumber
AB17468
ChemicalName
Chlorhexidine diacetate hydrate
CasNumber
206986-79-0
MolecularFormula
C26H40Cl2N10O5
MolecularWeight
643.5658
MdlNumber
MFCD00150042
Smiles
NC(=N)NC(=N)NCCCCCCNC(=N)NC(=Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl.CC(=O)O.CC(=O)O.O
Complexity
680
Covalently-bondedUnitCount
3
DefinedBondStereocenterCount
2
HeavyAtomCount
42
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
8
RotatableBondCount
13
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CatalogNumber: AB17468
ChemicalName: Chlorhexidine diacetate hydrate
CasNumber: 206986-79-0
MolecularFormula: C26H40Cl2N10O5
MolecularWeight: 643.5658
MdlNumber: MFCD00150042
Smiles: NC(=N)NC(=N)NCCCCCCNC(=N)NC(=Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl.CC(=O)O.CC(=O)O.O
Complexity: 680
Covalently-bondedUnitCount: 3
DefinedBondStereocenterCount: 2
HeavyAtomCount: 42
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 8
RotatableBondCount: 13
CatalogNumber:
AB17468
ChemicalName:
Chlorhexidine diacetate hydrate
CasNumber:
206986-79-0
MolecularFormula:
C26H40Cl2N10O5
MolecularWeight:
643.5658
MdlNumber:
MFCD00150042
Smiles:
NC(=N)NC(=N)NCCCCCCNC(=N)NC(=Nc1ccc(cc1)Cl)Nc1ccc(cc1)Cl.CC(=O)O.CC(=O)O.O
Complexity:
680
Covalently-bondedUnitCount:
3
DefinedBondStereocenterCount:
2
HeavyAtomCount:
42
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
8
RotatableBondCount:
13
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Cc1cccs1)Nc1cccc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Cc1cccs1)Nc1cccc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc2c(s1)ccc(c2)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB17471
ChemicalName: Methyl 5-amino-1-benzothiophene-2-carboxylate
CasNumber: 20699-85-8
MolecularFormula: C10H9NO2S
MolecularWeight: 207.249
MdlNumber: MFCD04123924
Smiles: COC(=O)c1cc2c(s1)ccc(c2)N
Complexity: 234
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB17471
ChemicalName:
Methyl 5-amino-1-benzothiophene-2-carboxylate
CasNumber:
20699-85-8
MolecularFormula:
C10H9NO2S
MolecularWeight:
207.249
MdlNumber:
MFCD04123924
Smiles:
COC(=O)c1cc2c(s1)ccc(c2)N
Complexity:
234
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2