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905751-58-8 | 4-iodo-1-(4-methoxybenzyl)-1H-pyrazole
CAS No: 905751-58-8 Catalog No: AG00IG7H MDL No:MFCD20568993
Product Description
Catalog Number:
AG00IG7H
Chemical Name:
4-iodo-1-(4-methoxybenzyl)-1H-pyrazole
CAS Number:
905751-58-8
Molecular Formula:
C11H11IN2O
Molecular Weight:
314.1223
MDL Number:
MFCD20568993
IUPAC Name:
4-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
InChI:
InChI=1S/C11H11IN2O/c1-15-11-4-2-9(3-5-11)7-14-8-10(12)6-13-14/h2-6,8H,7H2,1H3
InChI Key:
ZXNZREKRXQRZNP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1ncc(c1)I
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.126g/mol
Monoisotopic Mass:
313.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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