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Home Other Building Blocks 3-Chloropropionyl Chloride

3-Chloropropionyl Chloride

CAS No.:
625-36-5
Catalog Number:
AG0033OI
Molecular Formula:
C3H4Cl2O
Molecular Weight:
126.9693
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Product Description
Catalog Number:
AG0033OI
Chemical Name:
3-Chloropropionyl Chloride
CAS Number:
625-36-5
Molecular Formula:
C3H4Cl2O
Molecular Weight:
126.9693
MDL Number:
MFCD00000747
IUPAC Name:
3-chloropropanoyl chloride
InChI:
InChI=1S/C3H4Cl2O/c4-2-1-3(5)6/h1-2H2
InChI Key:
INUNLMUAPJVRME-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Cl
EC Number:
210-890-4
UNII:
24PO18998I
NSC Number:
84180
Properties
Complexity:
52.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.964g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.964g/mol
Monoisotopic Mass:
125.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
(Z)-2-[(2,4-Dimethyl-phen-yl)imino]-1,3-thia-zinan-4-one. Acta crystallographica. Section E, Structure reports online 20110101
Synthesis of some new tricyclic 4(3H)-quinazolinone derivatives. Research in pharmaceutical sciences 20110101
Synthesis, antiproliferative activity evaluation and structure-activity relationships of novel aromatic urea and amide analogues of N-phenyl-N'-(2-chloroethyl)ureas. European journal of medicinal chemistry 20100701
3-Chloro-N-(4-sulfamoylphen-yl)propanamide. Acta crystallographica. Section E, Structure reports online 20100701
(RS)-1-(1-Acetyl-indolin-5-yl)-2-chloro-propan-1-one. Acta crystallographica. Section E, Structure reports online 20100701
N-(3-Chloro-propion-yl)-N'-phenyl-thio-urea. Acta crystallographica. Section E, Structure reports online 20100301
Synthesis and antioxidant properties of some novel 5H-dibenz[b,f]azepine derivatives in different in vitro model systems. European journal of medicinal chemistry 20100101
Conformational structure of gaseous 3-chloropropanoyl chloride by electron diffraction, normal coordinate analysis, and ab initio molecular orbital, and density functional theory calculations. The journal of physical chemistry. A 20060928
Properties