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1007112-35-7 | 4-Benzoxazolecarboxylic acid, 2-chloro-, methyl ester
CAS No: 1007112-35-7 Catalog No: AG0002OP MDL No:MFCD11111729
Product Description
Catalog Number:
AG0002OP
Chemical Name:
4-Benzoxazolecarboxylic acid, 2-chloro-, methyl ester
CAS Number:
1007112-35-7
Molecular Formula:
C9H6ClNO3
Molecular Weight:
211.6018
MDL Number:
MFCD11111729
IUPAC Name:
methyl 2-chloro-1,3-benzoxazole-4-carboxylate
InChI:
InChI=1S/C9H6ClNO3/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3
InChI Key:
QXOMDXKTDOJUPP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nc(o2)Cl
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.601g/mol
Monoisotopic Mass:
211.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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