AB52942
54226-23-2 | Methyl 3,4-diamino-5-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB52942
ChemicalName
Methyl 3,4-diamino-5-nitrobenzoate
CasNumber
54226-23-2
MolecularFormula
C8H9N3O4
MolecularWeight
211.1748
MdlNumber
MFCD25964400
Smiles
COC(=O)c1cc(N)c(c(c1)[N+](=O)[O-])N
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
0.8
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CatalogNumber: AB52942
ChemicalName: Methyl 3,4-diamino-5-nitrobenzoate
CasNumber: 54226-23-2
MolecularFormula: C8H9N3O4
MolecularWeight: 211.1748
MdlNumber: MFCD25964400
Smiles: COC(=O)c1cc(N)c(c(c1)[N+](=O)[O-])N
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AB52942
ChemicalName:
Methyl 3,4-diamino-5-nitrobenzoate
CasNumber:
54226-23-2
MolecularFormula:
C8H9N3O4
MolecularWeight:
211.1748
MdlNumber:
MFCD25964400
Smiles:
COC(=O)c1cc(N)c(c(c1)[N+](=O)[O-])N
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N1CCC2(CC1)CCO2.N1CCC2(CC1)CCO2.OC(=O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N1CCC2(CC1)CCO2.N1CCC2(CC1)CCO2.OC(=O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52944
ChemicalName: Bicyclo[3.1.0]hexan-3-amine hydrochloride
CasNumber: 89676-80-2
MolecularFormula: C6H12ClN
MolecularWeight: 133.6192
MdlNumber: MFCD27987290
Smiles: NC1CC2C(C1)C2.Cl
Complexity: 80.2
Covalently-bondedUnitCount: 2
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB52944
ChemicalName:
Bicyclo[3.1.0]hexan-3-amine hydrochloride
CasNumber:
89676-80-2
MolecularFormula:
C6H12ClN
MolecularWeight:
133.6192
MdlNumber:
MFCD27987290
Smiles:
NC1CC2C(C1)C2.Cl
Complexity:
80.2
Covalently-bondedUnitCount:
2
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)N[C@@H]([C@@H](C(C)C)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)N[C@@H]([C@@H](C(C)C)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__