AC20013
872624-68-5 | 2-Iodo-4-methyl-5-(trifluoromethyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AC20013
ChemicalName
2-Iodo-4-methyl-5-(trifluoromethyl)aniline
CasNumber
872624-68-5
MolecularFormula
C8H7F3IN
MolecularWeight
301.0476
MdlNumber
MFCD11111110
Smiles
Cc1cc(I)c(cc1C(F)(F)F)N
Complexity
183
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
3.1
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CatalogNumber: AC20013
ChemicalName: 2-Iodo-4-methyl-5-(trifluoromethyl)aniline
CasNumber: 872624-68-5
MolecularFormula: C8H7F3IN
MolecularWeight: 301.0476
MdlNumber: MFCD11111110
Smiles: Cc1cc(I)c(cc1C(F)(F)F)N
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 3.1
CatalogNumber:
AC20013
ChemicalName:
2-Iodo-4-methyl-5-(trifluoromethyl)aniline
CasNumber:
872624-68-5
MolecularFormula:
C8H7F3IN
MolecularWeight:
301.0476
MdlNumber:
MFCD11111110
Smiles:
Cc1cc(I)c(cc1C(F)(F)F)N
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
3.1
CatalogNumber: AC20014
ChemicalName: Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
CasNumber: 872624-52-7
MolecularFormula: C9H7F3INO2
MolecularWeight: 345.05705959999995
MdlNumber: MFCD11111107
Smiles: COC(=O)c1cc(I)c(cc1N)C(F)(F)F
Complexity: 272
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
Xlogp3: 3.2
CatalogNumber:
AC20014
ChemicalName:
Methyl 2-amino-5-iodo-4-(trifluoromethyl)benzoate
CasNumber:
872624-52-7
MolecularFormula:
C9H7F3INO2
MolecularWeight:
345.05705959999995
MdlNumber:
MFCD11111107
Smiles:
COC(=O)c1cc(I)c(cc1N)C(F)(F)F
Complexity:
272
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
Xlogp3:
3.2
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Smiles: O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1[N+](=O)[O-]
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Smiles:
O[C@@H]1C=Cc2c([C@H]1O)ccc1c2cc2ccccc2c1[N+](=O)[O-]
Complexity:
__
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Smiles: CC(OC(=O)OC(I)C)C
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Smiles:
CC(OC(=O)OC(I)C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Xlogp3:
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