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1368818-21-6

1368818-21-6 | 2-[4-(1-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetonitrile

CAS No: 1368818-21-6 Catalog No: AG01A4NH MDL No:MFCD21882872

Product Description

Catalog Number:
AG01A4NH
Chemical Name:
2-[4-(1-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]acetonitrile
CAS Number:
1368818-21-6
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
MDL Number:
MFCD21882872
IUPAC Name:
2-[4-(1-methylpyrrol-3-yl)-1,3-thiazol-2-yl]acetonitrile
InChI:
InChI=1S/C10H9N3S/c1-13-5-3-8(6-13)9-7-14-10(12-9)2-4-11/h3,5-7H,2H2,1H3
InChI Key:
XYJJQQNZFQXNNI-UHFFFAOYSA-N
SMILES:
N#CCc1scc(n1)c1ccn(c1)C

Properties

Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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