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Home Halogens methyl 2-chloro-1H-1,3-benzodiazole-7-carboxylate

methyl 2-chloro-1H-1,3-benzodiazole-7-carboxylate

CAS No.:
1171129-05-7
Catalog Number:
AG01AP3I
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
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Product Description
Catalog Number:
AG01AP3I
Chemical Name:
methyl 2-chloro-1H-1,3-benzodiazole-7-carboxylate
CAS Number:
1171129-05-7
Molecular Formula:
C9H7ClN2O2
Molecular Weight:
210.6171
MDL Number:
MFCD22562505
IUPAC Name:
methyl 2-chloro-1H-benzimidazole-4-carboxylate
InChI:
InChI=1S/C9H7ClN2O2/c1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6/h2-4H,1H3,(H,11,12)
InChI Key:
ILEUCNCKSCQHGO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1[nH]c(n2)Cl
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
210.617g/mol
Monoisotopic Mass:
210.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties