1-(2,4-Difluorophenyl)biguanide hydrochloride - CAS 66088-52-6
Catalog: |
BB032909 |
Product Name: |
1-(2,4-Difluorophenyl)biguanide hydrochloride |
CAS: |
66088-52-6 |
Synonyms: |
1-(diaminomethylidene)-2-(2,4-difluorophenyl)guanidine;hydrochloride |
IUPAC Name: | 1-(diaminomethylidene)-2-(2,4-difluorophenyl)guanidine;hydrochloride |
Description: | 1-(2,4-Difluorophenyl)biguanide hydrochloride (CAS# 66088-52-6) is a useful research chemical. |
Molecular Weight: | 249.65 |
Molecular Formula: | C8H10ClF2N5 |
Canonical SMILES: | C1=CC(=C(C=C1F)F)N=C(N)N=C(N)N.Cl |
InChI: | InChI=1S/C8H9F2N5.ClH/c9-4-1-2-6(5(10)3-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H |
InChI Key: | XIUCHDFQXPAMQP-UHFFFAOYSA-N |
Boiling Point: | 399.7 °C at 760 mmHg |
Appearance: | Solid |
MDL: | MFCD00236668 |
LogP: | 2.96020 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.0592794 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.0592794 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 103 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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