AB46398
13518-40-6 | L-Valine tert-butyl ester, HCl
Manufacturer: A2B Chem
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CatalogNumber
AB46398
ChemicalName
L-Valine tert-butyl ester, HCl
CasNumber
13518-40-6
MolecularFormula
C9H20ClNO2
MolecularWeight
209.7136
MdlNumber
MFCD03939779
Smiles
CC([C@@H](C(=O)OC(C)(C)C)N)C.Cl
Complexity
158
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AB46398
ChemicalName: L-Valine tert-butyl ester, HCl
CasNumber: 13518-40-6
MolecularFormula: C9H20ClNO2
MolecularWeight: 209.7136
MdlNumber: MFCD03939779
Smiles: CC([C@@H](C(=O)OC(C)(C)C)N)C.Cl
Complexity: 158
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AB46398
ChemicalName:
L-Valine tert-butyl ester, HCl
CasNumber:
13518-40-6
MolecularFormula:
C9H20ClNO2
MolecularWeight:
209.7136
MdlNumber:
MFCD03939779
Smiles:
CC([C@@H](C(=O)OC(C)(C)C)N)C.Cl
Complexity:
158
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AB46399
ChemicalName: 3-(Trifluoromethyl)phenylacetic acid
CasNumber: 351-35-9
MolecularFormula: C9H7F3O2
MolecularWeight: 204.1459
MdlNumber: MFCD00004339
Smiles: OC(=O)Cc1cccc(c1)C(F)(F)F
Complexity: 213
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB46399
ChemicalName:
3-(Trifluoromethyl)phenylacetic acid
CasNumber:
351-35-9
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.1459
MdlNumber:
MFCD00004339
Smiles:
OC(=O)Cc1cccc(c1)C(F)(F)F
Complexity:
213
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOCC.[Mg+2].[Br-].[Br-]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOCC.[Mg+2].[Br-].[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O
Complexity: 293
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCc1ccc(c(c1)c1cc(CC=C)ccc1O)O
Complexity:
293
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__