AA49019
1365271-49-3 | 4-Bromo-N-cyclopropylnaphthalene-1-carboxamide
Manufacturer: A2B Chem
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CatalogNumber
AA49019
ChemicalName
4-Bromo-N-cyclopropylnaphthalene-1-carboxamide
CasNumber
1365271-49-3
MolecularFormula
C14H12BrNO
MolecularWeight
290.1552
MdlNumber
MFCD21609553
Smiles
O=C(c1ccc(c2c1cccc2)Br)NC1CC1
Complexity
303
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.7
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CatalogNumber: AA49019
ChemicalName: 4-Bromo-N-cyclopropylnaphthalene-1-carboxamide
CasNumber: 1365271-49-3
MolecularFormula: C14H12BrNO
MolecularWeight: 290.1552
MdlNumber: MFCD21609553
Smiles: O=C(c1ccc(c2c1cccc2)Br)NC1CC1
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.7
CatalogNumber:
AA49019
ChemicalName:
4-Bromo-N-cyclopropylnaphthalene-1-carboxamide
CasNumber:
1365271-49-3
MolecularFormula:
C14H12BrNO
MolecularWeight:
290.1552
MdlNumber:
MFCD21609553
Smiles:
O=C(c1ccc(c2c1cccc2)Br)NC1CC1
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.7
CatalogNumber: AA49020
ChemicalName: 3-(4-Carboxy-3-fluorophenyl)phenylacetic acid
CasNumber: 1365271-46-0
MolecularFormula: C15H11FO4
MolecularWeight: 274.2438
MdlNumber: MFCD21609595
Smiles: OC(=O)Cc1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 2.6
CatalogNumber:
AA49020
ChemicalName:
3-(4-Carboxy-3-fluorophenyl)phenylacetic acid
CasNumber:
1365271-46-0
MolecularFormula:
C15H11FO4
MolecularWeight:
274.2438
MdlNumber:
MFCD21609595
Smiles:
OC(=O)Cc1cccc(c1)c1ccc(c(c1)F)C(=O)O
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2c(c1)n(nn2)C1CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2c(c1)n(nn2)C1CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA49022
ChemicalName: Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber: 1365271-42-6
MolecularFormula: C15H10F4O2
MolecularWeight: 298.2323
MdlNumber: MFCD21609729
Smiles: COC(=O)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 4.4
CatalogNumber:
AA49022
ChemicalName:
Methyl 4-[4-fluoro-3-(trifluoromethyl)phenyl]benzoate
CasNumber:
1365271-42-6
MolecularFormula:
C15H10F4O2
MolecularWeight:
298.2323
MdlNumber:
MFCD21609729
Smiles:
COC(=O)c1ccc(cc1)c1ccc(c(c1)C(F)(F)F)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
4.4