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Compound FL0280

CAT: 0931-FL0280-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-FL0280-03Size:5 g
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CAS Number
163837-57-8
Purity
0.9712
Bioactivity
Compound FL0280, with CAS No. 163837-57-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0280 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
N[C@H](c1ccccc1)c1ccc(Cl)cc1
Molecular Formula
C13H12ClN
Molecular Weight
217.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphar)-
CAS Number163837-57-8
PubChem CID736033
IUPAC Name(R)-(4-chlorophenyl)-phenylmethanamine
Molecular FormulaC13H12ClN
Molecular Weight217.69
XLogP3.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity181
SMILES
C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C13H12ClN/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13H,15H2/t13-/m1/s1
InChIKey
XAFODXGEQUOEKN-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanamine, 4-chloro-alpha-phenyl-, (alphar)-
CAS: 163837-57-8
CID: 736033
Formula: C13H12ClN
MW: 217.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.69
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass217.0658271
Monoisotopic Mass217.0658271
Topological Polar Surface Area26 Ų
Heavy Atom Count15
Formal Charge0
Complexity181
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0290-01Compound FL0290
FL0080-01Compound FL0080
FL0230-01Compound FL0230
FL0285-01Compound FL0285
FL0200-01Compound FL0200
FL0210-01Compound FL0210
FL0208-01Compound FL0208
FL0240-01Compound FL0240
FL0218-01Compound FL0218
FL0185-01Compound FL0185

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