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Compound Fr12975

CAT: 0931-Fr12975-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12975-02Size:10 mg
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CAS Number
93983-13-2
Bioactivity
Compound Fr12975, with CAS No. 93983-13-2, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12975 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
COC1=CC=C(CO)C(Cl)=C1OC
Molecular Formula
C9H11ClO3
Molecular Weight
202.635
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2-Chloro-3,4-dimethoxyphenyl)methanol

(2-Chloro-3,4-dimethoxyphenyl)methanol is a dimethoxybenzene.

CAS Number93983-13-2
PubChem CID2775134
IUPAC Name(2-chloro-3,4-dimethoxyphenyl)methanol
Molecular FormulaC9H11ClO3
Molecular Weight202.63
XLogP1.6
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
COC1=C(C(=C(C=C1)CO)Cl)OC
InChI
InChI=1S/C9H11ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-4,11H,5H2,1-2H3
InChIKey
ZXYBQLFOEYWYBM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Chloro-3,4-dimethoxyphenyl)methanol
CAS: 93983-13-2
CID: 2775134
Formula: C9H11ClO3
MW: 202.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.63
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass202.0396719
Monoisotopic Mass202.0396719
Topological Polar Surface Area38.7 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
Fr12985-01Compound Fr12985
Fr12977-01Compound Fr12977
Fr12675-01Compound Fr12675
Fr12995-01Compound Fr12995
Fr12925-01Compound Fr12925
Fr12957-01Compound Fr12957
Fr12972-01Compound Fr12972
Fr12970-01Compound Fr12970
Fr12175-01Compound Fr12175
Fr12978-01Compound Fr12978

Alternative Products

CatalogName
ALX-550-516-M025Compound A
XXC35825-01Compound 3a
HY-14176-01Compound E
255023-01Compound 401
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254
MBS3613444-01Compound W
MBS3613725-01Compound 3344
MBS3613756-01Compound 23

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