Home Carbonyls 4-Methoxycarbonyl-benzamidine, HCl

4-Methoxycarbonyl-benzamidine, HCl

CAS No.:
42823-73-4
Catalog Number:
AG00COA8
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
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Purity
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1g
≥95%
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United States
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Product Description
Catalog Number:
AG00COA8
Chemical Name:
4-Methoxycarbonyl-benzamidine, HCl
CAS Number:
42823-73-4
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
MDL Number:
MFCD10697977
IUPAC Name:
methyl 4-carbamimidoylbenzoate;hydrochloride
InChI:
InChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-4-2-6(3-5-7)8(10)11;/h2-5H,1H3,(H3,10,11);1H
InChI Key:
SANDFJWTZYOLPM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(=N)N.Cl
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties