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18219-39-1 | Benzoic acid, 3-(aminoiminomethyl)-, methyl ester, hydrochloride (1:1)
CAS No: 18219-39-1 Catalog No: AG0023GT MDL No:MFCD06411222
Product Description
Catalog Number:
AG0023GT
Chemical Name:
Benzoic acid, 3-(aminoiminomethyl)-, methyl ester, hydrochloride (1:1)
CAS Number:
18219-39-1
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
MDL Number:
MFCD06411222
IUPAC Name:
methyl 3-carbamimidoylbenzoate;hydrochloride
InChI:
InChI=1S/C9H10N2O2.ClH/c1-13-9(12)7-4-2-3-6(5-7)8(10)11;/h2-5H,1H3,(H3,10,11);1H
InChI Key:
DYMXEQLOMHMOQE-UHFFFAOYSA-N
SMILES:
NN=Cc1cccc(c1)C(=O)OC.Cl
Properties
Complexity:
216
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
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