AI07851
1094431-64-7 | 3-(Chloromethyl)-N-ethylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AI07851
ChemicalName
3-(Chloromethyl)-N-ethylbenzamide
CasNumber
1094431-64-7
MolecularFormula
C10H12ClNO
MolecularWeight
197.6614
MdlNumber
MFCD11208367
Smiles
CCNC(=O)c1cccc(c1)CCl
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AI07851
ChemicalName: 3-(Chloromethyl)-N-ethylbenzamide
CasNumber: 1094431-64-7
MolecularFormula: C10H12ClNO
MolecularWeight: 197.6614
MdlNumber: MFCD11208367
Smiles: CCNC(=O)c1cccc(c1)CCl
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AI07851
ChemicalName:
3-(Chloromethyl)-N-ethylbenzamide
CasNumber:
1094431-64-7
MolecularFormula:
C10H12ClNO
MolecularWeight:
197.6614
MdlNumber:
MFCD11208367
Smiles:
CCNC(=O)c1cccc(c1)CCl
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: AI07852
ChemicalName: [2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid
CasNumber: 1094456-17-3
MolecularFormula: C11H8BrNO2S
MolecularWeight: 298.1557
MdlNumber: MFCD11179465
Smiles: OC(=O)Cc1csc(n1)c1ccccc1Br
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AI07852
ChemicalName:
[2-(2-Bromophenyl)-1,3-thiazol-4-yl]acetic acid
CasNumber:
1094456-17-3
MolecularFormula:
C11H8BrNO2S
MolecularWeight:
298.1557
MdlNumber:
MFCD11179465
Smiles:
OC(=O)Cc1csc(n1)c1ccccc1Br
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
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Smiles: COC(=O)c1cc(ccc1F)S(=O)(=O)Cl
Complexity: __
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Smiles:
COC(=O)c1cc(ccc1F)S(=O)(=O)Cl
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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RotatableBondCount:
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Xlogp3:
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Smiles: NC1(CCC1)c1ccc(cc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
NC1(CCC1)c1ccc(cc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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