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408538-63-6 | 2-Benzoxazolecarbonylchloride
CAS No: 408538-63-6 Catalog No: AG00743T MDL No:
Product Description
Catalog Number:
AG00743T
Chemical Name:
2-Benzoxazolecarbonylchloride
CAS Number:
408538-63-6
Molecular Formula:
C8H4ClNO2
Molecular Weight:
181.5759
IUPAC Name:
1,3-benzoxazole-2-carbonyl chloride
InChI:
InChI=1S/C8H4ClNO2/c9-7(11)8-10-5-3-1-2-4-6(5)12-8/h1-4H
InChI Key:
SOJYODSPXUHFQJ-UHFFFAOYSA-N
SMILES:
ClC(=O)c1nc2c(o1)cccc2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.993g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.575g/mol
Monoisotopic Mass:
180.993g/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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