AA81856
159691-25-5 | 4-(Pyrrolidin-1-ylmethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA81856
ChemicalName
4-(Pyrrolidin-1-ylmethyl)benzoic acid
CasNumber
159691-25-5
MolecularFormula
C12H15NO2
MolecularWeight
205.253
MdlNumber
MFCD05240081
Smiles
OC(=O)c1ccc(cc1)CN1CCCC1
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
-0.5
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CatalogNumber: AA81856
ChemicalName: 4-(Pyrrolidin-1-ylmethyl)benzoic acid
CasNumber: 159691-25-5
MolecularFormula: C12H15NO2
MolecularWeight: 205.253
MdlNumber: MFCD05240081
Smiles: OC(=O)c1ccc(cc1)CN1CCCC1
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: -0.5
CatalogNumber:
AA81856
ChemicalName:
4-(Pyrrolidin-1-ylmethyl)benzoic acid
CasNumber:
159691-25-5
MolecularFormula:
C12H15NO2
MolecularWeight:
205.253
MdlNumber:
MFCD05240081
Smiles:
OC(=O)c1ccc(cc1)CN1CCCC1
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
-0.5
CatalogNumber: AA81858
ChemicalName: 3-(Trifluoromethoxy)benzyl bromide
CasNumber: 159689-88-0
MolecularFormula: C8H6BrF3O
MolecularWeight: 255.03184960000002
MdlNumber: MFCD00061271
Smiles: BrCc1cccc(c1)OC(F)(F)F
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AA81858
ChemicalName:
3-(Trifluoromethoxy)benzyl bromide
CasNumber:
159689-88-0
MolecularFormula:
C8H6BrF3O
MolecularWeight:
255.03184960000002
MdlNumber:
MFCD00061271
Smiles:
BrCc1cccc(c1)OC(F)(F)F
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CC1=C(N)Oc2c(C1c1ccc(cc1)[N+](=O)[O-])c1ccccc1cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC1=C(N)Oc2c(C1c1ccc(cc1)[N+](=O)[O-])c1ccccc1cc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA81865
ChemicalName: 2-Bromo-4-chloro-6-nitrophenol
CasNumber: 15969-10-5
MolecularFormula: C6H3BrClNO3
MolecularWeight: 252.4499
MdlNumber: MFCD00024243
Smiles: Clc1cc(Br)c(c(c1)[N+](=O)[O-])O
Complexity: 186
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
AA81865
ChemicalName:
2-Bromo-4-chloro-6-nitrophenol
CasNumber:
15969-10-5
MolecularFormula:
C6H3BrClNO3
MolecularWeight:
252.4499
MdlNumber:
MFCD00024243
Smiles:
Clc1cc(Br)c(c(c1)[N+](=O)[O-])O
Complexity:
186
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
4.1