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Home > Nitro Compounds > 588712-41-8
588712-41-8 | Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro- (9CI)
CAS No: 588712-41-8 Catalog No: AG00F2Q0 MDL No:
Product Description
Catalog Number:
AG00F2Q0
Chemical Name:
Benzo[b]thiophene-2-carboxamide, 3-chloro-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-methyl-6-nitro- (9CI)
CAS Number:
588712-41-8
IUPAC Name:
3-chloro-N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-6-nitro-1-benzothiophene-2-carboxamide
InChI:
InChI=1S/C16H15ClN4O3S/c1-3-20-9-10(7-18-20)8-19(2)16(22)15-14(17)12-5-4-11(21(23)24)6-13(12)25-15/h4-7,9H,3,8H2,1-2H3
InChI Key:
JCTKWDQZPRZTPQ-UHFFFAOYSA-N
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.055g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.831g/mol
Monoisotopic Mass:
378.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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