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Structure

Benzenamine,2-ethyl-4-iodo-

CAS
99471-67-7
Catalog Number
ACM99471677
Category
Other Products
Molecular Weight
247.07617
Molecular Formula
C8H10IN

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Specification

Synonyms
ASISCHEM Z34648;CHEMBRDG-BB 9071544;2-ETHYL-4-IODO-PHENYLAMINE
IUPAC Name
2-ethyl-4-iodoaniline
Canonical SMILES
CCC1=C(C=CC(=C1)I)N
InChI Key
PLKZGDYLTZBAEH-UHFFFAOYSA-N
Boiling Point
293.8ºC at 760 mmHg
Flash Point
131.5ºC
Density
1.685g/cm³
Exact Mass
246.98600
H-Bond Acceptor
1
H-Bond Donor
1
What is the molecular formula of the compound?

The molecular formula of the compound is C8H10IN.

What is the molecular weight of the compound?

The molecular weight of the compound is 247.08 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-ethyl-4-iodoaniline.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H10IN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is PLKZGDYLTZBAEH-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCC1=C(C=CC(=C1)I)N.

What is the CAS number of the compound?

The CAS number of the compound is 99471-67-7.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.7.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

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