5-Bromo-2-ethoxyaniline

CAT: 0926-TCA31986-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-TCA31986-01Size:250 mg

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CAS Number

68319-86-8

MDL Number

MFCD08686988

Smiles

CCOC1=C (C=C (C=C1) Br) N

Molecular Formula

C8H10BrNO

Molecular Weight

216.07 g/mol

Controlled

Chemical Information

5-Bromo-2-ethoxyaniline

CAS Number	68319-86-8
PubChem CID	12423928
IUPAC Name	5-bromo-2-ethoxyaniline
Molecular Formula	C8H10BrNO
Molecular Weight	216.07
XLogP	2.3
Topological Polar Surface Area	35.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	121

SMILES

CCOC1=C(C=C(C=C1)Br)N

InChI

InChI=1S/C8H10BrNO/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,10H2,1H3

InChIKey

VVSSUPLMPJIGNN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68319-86-8

CID: 12423928

Formula: C8H10BrNO

MW: 216.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.07
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	214.99458
Monoisotopic Mass	214.99458
Topological Polar Surface Area	35.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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