2,4-Dibromophenyl isocyanate

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CAS Number

55076-90-9

Chemical Information

2,4-Dibromophenyl isocyanate

CAS Number	55076-90-9
PubChem CID	4649127
IUPAC Name	2,4-dibromo-1-isocyanatobenzene
Molecular Formula	C7H3Br2NO
Molecular Weight	276.91
XLogP	4.1
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	179

SMILES

C1=CC(=C(C=C1Br)Br)N=C=O

InChI

InChI=1S/C7H3Br2NO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H

InChIKey

CGEZHWIPFKRZBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 55076-90-9

CID: 4649127

Formula: C7H3Br2NO

MW: 276.91

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	276.91
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	276.85609
Monoisotopic Mass	274.85814
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	179
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
sc-322067	2,4-Dibromophenyl isothiocyanate
sc-230983	2,4-Dimethoxyphenyl isocyanate
sc-225690	2,4-Dimethylphenyl isocyanate
sc-254337	2,4-Dimethoxybenzyl isocyanate
sc-230952	2,4-Dichlorophenethyl isocyanate
sc-238329	2,4-Difluorophenyl isocyanate
sc-230954	2,4-Dichlorophenyl isocyanate
sc-341931	2-chloro-N- (2,4-dibromophenyl) propanamide
sc-341931A	2-chloro-N- (2,4-dibromophenyl) propanamide
sc-307768	2-Cyano-N- (2,4-dibromophenyl) acetamide

Catalog	Name
PC2875H-01	2,4-Difluorophenyl isocyanate
420183-01	2,4-Dichlorophenyl Isocyanate
OR1023401-01	2,4-Dichlorobenzyl Isocyanate
OR1028843-01	2,4-Dimethoxyphenyl Isocyanate
FM167986-01	2,4'-Methylenebis (phenyl isocyanate)
TRC-M261935-100MG	2 4'-Methylenebis(phenyl Isocyanate)
TRC-T900355-2.5G	2,4,6-Trichlorophenyl Isocyanate
OR1509-01	4-Bromo-2-methylphenyl isocyanate
OR97022-01	2 4'-Methylenebis (phenyl isocyanate)
BZB26399-01	4-Methoxy-2-methylbenzenesulfonyl isocyanate