AB21710
230615-59-5 | 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
Manufacturer: A2B Chem
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CatalogNumber
AB21710
ChemicalName
1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
CasNumber
230615-59-5
MolecularFormula
C13H10F3N3O5
MolecularWeight
345.2308
MdlNumber
MFCD10566032
Smiles
O=C(C(F)(F)F)N1CC2CC(C1)c1c2cc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity
537
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
8
UndefinedAtomStereocenterCount
2
Xlogp3
2.2
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CatalogNumber: AB21710
ChemicalName: 1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
CasNumber: 230615-59-5
MolecularFormula: C13H10F3N3O5
MolecularWeight: 345.2308
MdlNumber: MFCD10566032
Smiles: O=C(C(F)(F)F)N1CC2CC(C1)c1c2cc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: 537
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 8
UndefinedAtomStereocenterCount: 2
Xlogp3: 2.2
CatalogNumber:
AB21710
ChemicalName:
1-(7,8-Dinitro-4,5-dihydro-1H-1,5-methanobenzo[d]azepin-3(2H)-yl)-2,2,2-trifluoroethanone
CasNumber:
230615-59-5
MolecularFormula:
C13H10F3N3O5
MolecularWeight:
345.2308
MdlNumber:
MFCD10566032
Smiles:
O=C(C(F)(F)F)N1CC2CC(C1)c1c2cc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
537
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
8
UndefinedAtomStereocenterCount:
2
Xlogp3:
2.2
CatalogNumber: AB21711
ChemicalName: 2,3,4,5-Tetrahydro-1h-1,5-methanobenzo[d]azepine hydrochloride
CasNumber: 230615-52-8
MolecularFormula: C11H14ClN
MolecularWeight: 195.68856
MdlNumber: MFCD11042279
Smiles: N1CC2CC(C1)c1c2cccc1.Cl
Complexity: 160
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
UndefinedAtomStereocenterCount: 2
Xlogp3: __
CatalogNumber:
AB21711
ChemicalName:
2,3,4,5-Tetrahydro-1h-1,5-methanobenzo[d]azepine hydrochloride
CasNumber:
230615-52-8
MolecularFormula:
C11H14ClN
MolecularWeight:
195.68856
MdlNumber:
MFCD11042279
Smiles:
N1CC2CC(C1)c1c2cccc1.Cl
Complexity:
160
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
UndefinedAtomStereocenterCount:
2
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(C(F)(F)F)N1CC2CC(C1)c1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(C(F)(F)F)N1CC2CC(C1)c1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cc1)CN1CC2CC(C1)c1c2cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cc1)CN1CC2CC(C1)c1c2cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__