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202195-57-1 | 6-Benzoxazolecarbonyl chloride, 2-methyl-
CAS No: 202195-57-1 Catalog No: AG002841 MDL No:
Product Description
Catalog Number:
AG002841
Chemical Name:
6-Benzoxazolecarbonyl chloride, 2-methyl-
CAS Number:
202195-57-1
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
IUPAC Name:
2-methyl-1,3-benzoxazole-6-carbonyl chloride
InChI:
InChI=1S/C9H6ClNO2/c1-5-11-7-3-2-6(9(10)12)4-8(7)13-5/h2-4H,1H3
InChI Key:
JCERQLRQJYTHQY-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)cc(cc2)C(=O)Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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