AB43778
61500-87-6 | Methyl 2-amino-4-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB43778
ChemicalName
Methyl 2-amino-4-(trifluoromethyl)benzoate
CasNumber
61500-87-6
MolecularFormula
C9H8F3NO2
MolecularWeight
219.1605
MdlNumber
MFCD08543939
Smiles
COC(=O)c1ccc(cc1N)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AB43778
ChemicalName: Methyl 2-amino-4-(trifluoromethyl)benzoate
CasNumber: 61500-87-6
MolecularFormula: C9H8F3NO2
MolecularWeight: 219.1605
MdlNumber: MFCD08543939
Smiles: COC(=O)c1ccc(cc1N)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AB43778
ChemicalName:
Methyl 2-amino-4-(trifluoromethyl)benzoate
CasNumber:
61500-87-6
MolecularFormula:
C9H8F3NO2
MolecularWeight:
219.1605
MdlNumber:
MFCD08543939
Smiles:
COC(=O)c1ccc(cc1N)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ncc(s1)CCO
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ncc(s1)CCO
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB43780
ChemicalName: 2-Amino-5-bromo-1,3,4-thiadiazole
CasNumber: 37566-39-5
MolecularFormula: C2H2BrN3S
MolecularWeight: 180.0264
MdlNumber: MFCD00464325
Smiles: Nc1nnc(s1)Br
Complexity: 70
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1
CatalogNumber:
AB43780
ChemicalName:
2-Amino-5-bromo-1,3,4-thiadiazole
CasNumber:
37566-39-5
MolecularFormula:
C2H2BrN3S
MolecularWeight:
180.0264
MdlNumber:
MFCD00464325
Smiles:
Nc1nnc(s1)Br
Complexity:
70
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1
CatalogNumber: AB43781
ChemicalName: 2-Amino-5-bromo-3-picoline
CasNumber: 3430-21-5
MolecularFormula: C6H7BrN2
MolecularWeight: 187.0372
MdlNumber: MFCD00068232
Smiles: Brc1cnc(c(c1)C)N
Complexity: 97.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AB43781
ChemicalName:
2-Amino-5-bromo-3-picoline
CasNumber:
3430-21-5
MolecularFormula:
C6H7BrN2
MolecularWeight:
187.0372
MdlNumber:
MFCD00068232
Smiles:
Brc1cnc(c(c1)C)N
Complexity:
97.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.6