Benzyl-d5 Bromide

CAT: 0024-sc-503440Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-503440Size:25 mg

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CAS Number

71258-22-5

Chemical Information

Benzyl-d5 Bromide

CAS Number	71258-22-5
PubChem CID	87478807
IUPAC Name	1-(bromomethyl)-2,3,4,5,6-pentadeuteriobenzene
Molecular Formula	C7H7Br
Molecular Weight	176.06
XLogP	2.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	55

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])CBr)[2H])[2H]

InChI

InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D,4D,5D

InChIKey

AGEZXYOZHKGVCM-RALIUCGRSA-N

Chemical Structure

2D Structure

CAS: 71258-22-5

CID: 87478807

Formula: C7H7Br

MW: 176.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.06
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	175.00450
Monoisotopic Mass	175.00450
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	55.4
Isotope Atom Count	5
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
sc-239315	Benzyl bromide
sc-217742	Benzyldodecyldimethylammonium-d5 Bromide
sc-499249	Ethidium-d5 bromide
sc-480665	Aclidinium-d5 Bromide
sc-479483	Allyl-d5 Bromide
sc-475025	Umeclidinium Bromide-d5
sc-498951	Emepronium-d5 Bromide
sc-476629	Prifinium Bromide-d5
sc-257147B	Benzyl bromide-d7
sc-257147A	Benzyl bromide-d7

Catalog	Name
162818	Benzyl-d5 Bromide
OR12905-01	Benzyl bromide
JH916667	BENZYL-2,3,4,5,6-D5 BROMIDE
HY-W614527S	Allyltributylphosphonium bromide-d5
MBS6018598-01	Benzyldodecyldimethylammonium-d5 Bromide
AR-C03100-01	Umeclidinium Bromide-d5
CS-O-59390	Sofpironium bromide-d5 (Ethoxy-d5)
CS-O-59385	Sofpironium bromide-d5 (phenyl-d5)
HY-W778069-01	β-Cyclogeranyltriphenylphosphonium bromide-d5
HY-12100S-01	Umeclidinium-d5 (bromide)