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444777-18-8 | 5-Benzoxazolecarbonylchloride, 2-methyl-
CAS No: 444777-18-8 Catalog No: AG0071R9 MDL No:MFCD13174291
Product Description
Catalog Number:
AG0071R9
Chemical Name:
5-Benzoxazolecarbonylchloride, 2-methyl-
CAS Number:
444777-18-8
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD13174291
IUPAC Name:
2-methyl-1,3-benzoxazole-5-carbonyl chloride
InChI:
InChI=1S/C9H6ClNO2/c1-5-11-7-4-6(9(10)12)2-3-8(7)13-5/h2-4H,1H3
InChI Key:
SPDCIPGIOQKSTM-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)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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