Methyl (4-Bromophenyl) Carbamate

CAT: 1299-RG-P022765-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-P022765-01Size:10 mg

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CAS Number

25203-36-5

Synonyms

Methyl (4-bromophenyl) carbamate

Molecular Formula

C8H8BrNO2

Molecular Weight

230.06

Product Name Synonym

Methyl (4-bromophenyl) carbamate

Chemical Information

Methyl N-(4-bromophenyl)carbamate

CAS Number	25203-36-5
PubChem CID	5203164
IUPAC Name	methyl N-(4-bromophenyl)carbamate
Molecular Formula	C8H8BrNO2
Molecular Weight	230.06
XLogP	2.6
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	155

SMILES

COC(=O)NC1=CC=C(C=C1)Br

InChI

InChI=1S/C8H8BrNO2/c1-12-8(11)10-7-4-2-6(9)3-5-7/h2-5H,1H3,(H,10,11)

InChIKey

GLRFFVNPNGTCSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25203-36-5

CID: 5203164

Formula: C8H8BrNO2

MW: 230.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.06
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	228.97384
Monoisotopic Mass	228.97384
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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

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