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3-Chlorostyrene

CAS No.:
2039-85-2
Catalog Number:
AG00297E
Molecular Formula:
C8H7Cl
Molecular Weight:
138.5942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$15
- +
5g
98%
In Stock USA
United States
$44
- +
10g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$150
- +
100g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00297E
Chemical Name:
3-Chlorostyrene
CAS Number:
2039-85-2
Molecular Formula:
C8H7Cl
Molecular Weight:
138.5942
MDL Number:
MFCD00000598
IUPAC Name:
1-chloro-3-ethenylbenzene
InChI:
InChI=1S/C8H7Cl/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
InChI Key:
BOVQCIDBZXNFEJ-UHFFFAOYSA-N
SMILES:
C=Cc1cccc(c1)Cl
EC Number:
218-024-7
UNII:
11K8G759HC
NSC Number:
18602
Properties
Complexity:
98.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.024g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.594g/mol
Monoisotopic Mass:
138.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Literature
Title Journal
Expression and characterization of styrene monooxygenases of Rhodococcus sp. ST-5 and ST-10 for synthesizing enantiopure (S)-epoxides. Applied microbiology and biotechnology 20121001
Role of residue 87 in substrate selectivity and regioselectivity of drug-metabolizing cytochrome P450 CYP102A1 M11. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20110801
Synthesis and in vitro evaluation of pteridine analogues as monoamine oxidase B and nitric oxide synthase inhibitors. Bioorganic & medicinal chemistry 20091101
Residue size at position 87 of cytochrome P450 BM-3 determines its stereoselectivity in propylbenzene and 3-chlorostyrene oxidation. FEBS letters 20011116
Synthesis of 2,3-dihydroindoles, indoles, and anilines by transition metal-free amination of aryl chlorides. The Journal of organic chemistry 20010223
Properties