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13096-98-5 | 1H-Indazole, 6-chloro-5-methoxy-
CAS No: 13096-98-5 Catalog No: AG000V6A MDL No:MFCD20923428
Product Description
Catalog Number:
AG000V6A
Chemical Name:
1H-Indazole, 6-chloro-5-methoxy-
CAS Number:
13096-98-5
Molecular Formula:
C8H7ClN2O
Molecular Weight:
182.6070
MDL Number:
MFCD20923428
IUPAC Name:
6-chloro-5-methoxy-1H-indazole
InChI:
InChI=1S/C8H7ClN2O/c1-12-8-2-5-4-10-11-7(5)3-6(8)9/h2-4H,1H3,(H,10,11)
InChI Key:
CHLRRKUDPILWJN-UHFFFAOYSA-N
SMILES:
COc1cc2cn[nH]c2cc1Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.607g/mol
Monoisotopic Mass:
182.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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