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6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one,iodide

6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one,iodide structure

CAS No:
100037-07-8
Formula:
C19H18ClIN4O3
Chemical Name:
6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one,iodide

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6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one,iodide Basic Attributes

Molecular Weight：

512.72900

Exact Mass：

512.01122 g/mol

Characteristics

PSA：

88.63000

XLogP3：

3.72760

Boiling Point：

588.4ºC

Flash Point：

309.6ºC

Vapor Pressure：

8.01E-14mmHg at 25°C

Computed Properties

Molecular Weight:512.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:512.01122
Monoisotopic Mass:512.01122
Topological Polar Surface Area:87.6
Heavy Atom Count:28
Complexity:606
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 6-chloro-3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-1,3-benzoxazol-2-one,iodide

Basic Attributes
Characteristics
Computed Properties

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