AI49596
38939-88-7 | 3-Chloro-4-nitrotoluene
Manufacturer: A2B Chem
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CatalogNumber
AI49596
ChemicalName
3-Chloro-4-nitrotoluene
CasNumber
38939-88-7
MolecularFormula
C7H6ClNO2
MolecularWeight
171.581
MdlNumber
MFCD02683043
Smiles
Cc1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
Xlogp3
2.7
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CatalogNumber: AI49596
ChemicalName: 3-Chloro-4-nitrotoluene
CasNumber: 38939-88-7
MolecularFormula: C7H6ClNO2
MolecularWeight: 171.581
MdlNumber: MFCD02683043
Smiles: Cc1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
Xlogp3: 2.7
CatalogNumber:
AI49596
ChemicalName:
3-Chloro-4-nitrotoluene
CasNumber:
38939-88-7
MolecularFormula:
C7H6ClNO2
MolecularWeight:
171.581
MdlNumber:
MFCD02683043
Smiles:
Cc1ccc(c(c1)Cl)[N+](=O)[O-]
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cncc(c1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cncc(c1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Nc1c(F)cccc1F
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Nc1c(F)cccc1F
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
0.7
CatalogNumber: AI49600
ChemicalName: 4-(Piperidine-1-carbonyl)phenylboronic acid
CasNumber: 389621-83-4
MolecularFormula: C12H16BNO3
MolecularWeight: 233.0713
MdlNumber: MFCD03411951
Smiles: OB(c1ccc(cc1)C(=O)N1CCCCC1)O
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
Xlogp3: __
CatalogNumber:
AI49600
ChemicalName:
4-(Piperidine-1-carbonyl)phenylboronic acid
CasNumber:
389621-83-4
MolecularFormula:
C12H16BNO3
MolecularWeight:
233.0713
MdlNumber:
MFCD03411951
Smiles:
OB(c1ccc(cc1)C(=O)N1CCCCC1)O
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
Xlogp3:
__