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1000018-59-6

1000018-59-6 | Thiophene, 2-bromo-5-(diethoxymethyl)-3-methyl-

CAS No: 1000018-59-6 Catalog No: AG00008X MDL No:MFCD06657808

Product Description

Catalog Number:
AG00008X
Chemical Name:
Thiophene, 2-bromo-5-(diethoxymethyl)-3-methyl-
CAS Number:
1000018-59-6
Molecular Formula:
C10H15BrO2S
Molecular Weight:
279.1939
MDL Number:
MFCD06657808
IUPAC Name:
2-bromo-5-(diethoxymethyl)-3-methylthiophene
InChI:
InChI=1S/C10H15BrO2S/c1-4-12-10(13-5-2)8-6-7(3)9(11)14-8/h6,10H,4-5H2,1-3H3
InChI Key:
XIHFWFIXJSZBPH-UHFFFAOYSA-N
SMILES:
CCOC(c1cc(c(s1)Br)C)OCC

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.998g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.192g/mol
Monoisotopic Mass:
277.998g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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