AI57377
855839-37-1 | 5-Isopropoxy-2-nitrophenol
Manufacturer: A2B Chem
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CatalogNumber
AI57377
ChemicalName
5-Isopropoxy-2-nitrophenol
CasNumber
855839-37-1
MolecularFormula
C9H11NO4
MolecularWeight
197.1879
MdlNumber
MFCD28024834
Smiles
CC(Oc1ccc(c(c1)O)[N+](=O)[O-])C
Complexity
202
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AI57377
ChemicalName: 5-Isopropoxy-2-nitrophenol
CasNumber: 855839-37-1
MolecularFormula: C9H11NO4
MolecularWeight: 197.1879
MdlNumber: MFCD28024834
Smiles: CC(Oc1ccc(c(c1)O)[N+](=O)[O-])C
Complexity: 202
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AI57377
ChemicalName:
5-Isopropoxy-2-nitrophenol
CasNumber:
855839-37-1
MolecularFormula:
C9H11NO4
MolecularWeight:
197.1879
MdlNumber:
MFCD28024834
Smiles:
CC(Oc1ccc(c(c1)O)[N+](=O)[O-])C
Complexity:
202
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: AI57378
ChemicalName: tert-Butyl 6-chlorospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber: 855849-89-7
MolecularFormula: C18H22ClNO2
MolecularWeight: 319.8258
MdlNumber: MFCD12198618
Smiles: Clc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity: 460
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 4.5
CatalogNumber:
AI57378
ChemicalName:
tert-Butyl 6-chlorospiro[indene-1,4'-piperidine]-1'-carboxylate
CasNumber:
855849-89-7
MolecularFormula:
C18H22ClNO2
MolecularWeight:
319.8258
MdlNumber:
MFCD12198618
Smiles:
Clc1ccc2c(c1)C1(CCN(CC1)C(=O)OC(C)(C)C)C=C2
Complexity:
460
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
4.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cnc2c(c1O)ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cnc2c(c1O)ccc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1ccc(c(n1)C)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1ccc(c(n1)C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__