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1260816-16-7 | 1H-Indazole-3-carbonyl chloride, 4-methoxy-
CAS No: 1260816-16-7 Catalog No: AG000RDE MDL No:
Product Description
Catalog Number:
AG000RDE
Chemical Name:
1H-Indazole-3-carbonyl chloride, 4-methoxy-
CAS Number:
1260816-16-7
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
IUPAC Name:
4-methoxy-1H-indazole-3-carbonyl chloride
InChI:
InChI=1S/C9H7ClN2O2/c1-14-6-4-2-3-5-7(6)8(9(10)13)12-11-5/h2-4H,1H3,(H,11,12)
InChI Key:
ZZCPAKDMDWZJLL-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(n[nH]2)C(=O)Cl
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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