2-Bromophenylurea

CAT: 0127-OR400667-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR400667-01Size:1 g

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CAS Number

13114-90-4

MDL Number

MFCD00041315

Purity

98%

Smiles

NC(=O)Nc1ccccc1Br

Chemical Information

(2-Bromophenyl)urea

CAS Number	13114-90-4
PubChem CID	139386
IUPAC Name	(2-bromophenyl)urea
Molecular Formula	C7H7BrN2O
Molecular Weight	215.05
XLogP	0.8
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

C1=CC=C(C(=C1)NC(=O)N)Br

InChI

InChI=1S/C7H7BrN2O/c8-5-3-1-2-4-6(5)10-7(9)11/h1-4H,(H3,9,10,11)

InChIKey

QXEDXIJDCOADGG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13114-90-4

CID: 139386

Formula: C7H7BrN2O

MW: 215.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.05
XLogP3	0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	213.97418
Monoisotopic Mass	213.97418
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
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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