AB62258
34598-33-9 | 2H,2H,3H,3H-Perfluoroundecanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB62258
ChemicalName
2H,2H,3H,3H-Perfluoroundecanoic acid
CasNumber
34598-33-9
MolecularFormula
C11H5F17O2
MolecularWeight
492.1291
MdlNumber
MFCD04038353
Smiles
OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity
647
Covalently-bondedUnitCount
1
HeavyAtomCount
30
HydrogenBondAcceptorCount
19
HydrogenBondDonorCount
1
RotatableBondCount
9
Xlogp3
5.9
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CatalogNumber: AB62258
ChemicalName: 2H,2H,3H,3H-Perfluoroundecanoic acid
CasNumber: 34598-33-9
MolecularFormula: C11H5F17O2
MolecularWeight: 492.1291
MdlNumber: MFCD04038353
Smiles: OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity: 647
Covalently-bondedUnitCount: 1
HeavyAtomCount: 30
HydrogenBondAcceptorCount: 19
HydrogenBondDonorCount: 1
RotatableBondCount: 9
Xlogp3: 5.9
CatalogNumber:
AB62258
ChemicalName:
2H,2H,3H,3H-Perfluoroundecanoic acid
CasNumber:
34598-33-9
MolecularFormula:
C11H5F17O2
MolecularWeight:
492.1291
MdlNumber:
MFCD04038353
Smiles:
OC(=O)CCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity:
647
Covalently-bondedUnitCount:
1
HeavyAtomCount:
30
HydrogenBondAcceptorCount:
19
HydrogenBondDonorCount:
1
RotatableBondCount:
9
Xlogp3:
5.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=O)c1ncn[nH]1
Complexity: 104
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)c1ncn[nH]1
Complexity:
104
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.8
CatalogNumber: AB62260
ChemicalName: 2H-Benzo[e][1,3]oxazine-2,4(3h)-dione
CasNumber: 2037-95-8
MolecularFormula: C8H5NO3
MolecularWeight: 163.1302
MdlNumber: MFCD00600566
Smiles: O=c1oc2ccccc2c(=O)[nH]1
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AB62260
ChemicalName:
2H-Benzo[e][1,3]oxazine-2,4(3h)-dione
CasNumber:
2037-95-8
MolecularFormula:
C8H5NO3
MolecularWeight:
163.1302
MdlNumber:
MFCD00600566
Smiles:
O=c1oc2ccccc2c(=O)[nH]1
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AB62261
ChemicalName: 2H-1,4-Benzoxazin-3(4H)-one
CasNumber: 5466-88-6
MolecularFormula: C8H7NO2
MolecularWeight: 149.14667999999998
MdlNumber: MFCD00158536
Smiles: O=C1COc2c(N1)cccc2
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
AB62261
ChemicalName:
2H-1,4-Benzoxazin-3(4H)-one
CasNumber:
5466-88-6
MolecularFormula:
C8H7NO2
MolecularWeight:
149.14667999999998
MdlNumber:
MFCD00158536
Smiles:
O=C1COc2c(N1)cccc2
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.9