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127690-17-9 | 2-Benzofurancarboxylic acid, 7-chloro-2,3-dihydro-, methyl ester
CAS No: 127690-17-9 Catalog No: AG000XAZ MDL No:MFCD23166753
Product Description
Catalog Number:
AG000XAZ
Chemical Name:
2-Benzofurancarboxylic acid, 7-chloro-2,3-dihydro-, methyl ester
CAS Number:
127690-17-9
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
MDL Number:
MFCD23166753
IUPAC Name:
methyl 7-chloro-2,3-dihydro-1,3-benzoxazole-2-carboxylate
InChI:
InChI=1S/C9H8ClNO3/c1-13-9(12)8-11-6-4-2-3-5(10)7(6)14-8/h2-4,8,11H,1H3
InChI Key:
MWRSASWGUWGEKZ-UHFFFAOYSA-N
SMILES:
COC(=O)C1Cc2c(O1)c(Cl)ccc2
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.019g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.617g/mol
Monoisotopic Mass:
213.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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