AH58751
852157-71-2 | 4-(Chloromethyl)-N-ethylbenzamide
Manufacturer: A2B Chem
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CatalogNumber
AH58751
ChemicalName
4-(Chloromethyl)-N-ethylbenzamide
CasNumber
852157-71-2
MolecularFormula
C10H12ClNO
MolecularWeight
197.6614
MdlNumber
MFCD11208368
Smiles
CCNC(=O)c1ccc(cc1)CCl
Complexity
164
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2
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CatalogNumber: AH58751
ChemicalName: 4-(Chloromethyl)-N-ethylbenzamide
CasNumber: 852157-71-2
MolecularFormula: C10H12ClNO
MolecularWeight: 197.6614
MdlNumber: MFCD11208368
Smiles: CCNC(=O)c1ccc(cc1)CCl
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2
CatalogNumber:
AH58751
ChemicalName:
4-(Chloromethyl)-N-ethylbenzamide
CasNumber:
852157-71-2
MolecularFormula:
C10H12ClNO
MolecularWeight:
197.6614
MdlNumber:
MFCD11208368
Smiles:
CCNC(=O)c1ccc(cc1)CCl
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cc(ccc1Cl)c1ccccc1
Complexity: 248
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cc(ccc1Cl)c1ccccc1
Complexity:
248
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AH58753
ChemicalName: 2-Cyano-1,3-dihydroindene-2-carboxylic acid
CasNumber: 858226-43-4
MolecularFormula: C11H9NO2
MolecularWeight: 187.1947
MdlNumber: MFCD21802888
Smiles: N#CC1(Cc2c(C1)cccc2)C(=O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AH58753
ChemicalName:
2-Cyano-1,3-dihydroindene-2-carboxylic acid
CasNumber:
858226-43-4
MolecularFormula:
C11H9NO2
MolecularWeight:
187.1947
MdlNumber:
MFCD21802888
Smiles:
N#CC1(Cc2c(C1)cccc2)C(=O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AH58754
ChemicalName: 2-Amino-3,5-dibromopyrazin-1-ium-1-olate
CasNumber: 84539-09-3
MolecularFormula: C4H3Br2N3O
MolecularWeight: 268.8941
MdlNumber: MFCD25953922
Smiles: Brc1c[n+]([O-])c(c(n1)Br)N
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AH58754
ChemicalName:
2-Amino-3,5-dibromopyrazin-1-ium-1-olate
CasNumber:
84539-09-3
MolecularFormula:
C4H3Br2N3O
MolecularWeight:
268.8941
MdlNumber:
MFCD25953922
Smiles:
Brc1c[n+]([O-])c(c(n1)Br)N
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
1.1