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Structure

5-Bromo-1,3-difluoro-2-methylbenzene

CAS
179617-08-4
Catalog Number
ACM179617084
Category
Bromine Series
Molecular Weight
207.02
Molecular Formula
C7H5BrF2

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Specification

Synonyms
5-Bromo-1,3-difluoro-2-methylbenzene
IUPAC Name
5-bromo-1,3-difluoro-2-methylbenzene
Canonical SMILES
CC1=C(C=C(C=C1F)Br)F
InChI Key
NGINOAWMGMGBPJ-UHFFFAOYSA-N
Boiling Point
176ºC at 760 mmHg
Flash Point
60.3ºC
Density
1.588g/cm³
Exact Mass
205.95400
Hazard Statements
Xi
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 5-Bromo-1,3-difluoro-2-methylbenzene?

The molecular formula of 5-Bromo-1,3-difluoro-2-methylbenzene is C7H5BrF2.

What is the molecular weight of 5-Bromo-1,3-difluoro-2-methylbenzene?

The molecular weight of 5-Bromo-1,3-difluoro-2-methylbenzene is 207.01 g/mol.

What is the IUPAC name of 5-Bromo-1,3-difluoro-2-methylbenzene?

The IUPAC name of 5-Bromo-1,3-difluoro-2-methylbenzene is 5-bromo-1,3-difluoro-2-methylbenzene.

What is the InChI of 5-Bromo-1,3-difluoro-2-methylbenzene?

The InChI of 5-Bromo-1,3-difluoro-2-methylbenzene is InChI=1S/C7H5BrF2/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3.

What is the InChIKey of 5-Bromo-1,3-difluoro-2-methylbenzene?

The InChIKey of 5-Bromo-1,3-difluoro-2-methylbenzene is NGINOAWMGMGBPJ-UHFFFAOYSA-N.

What is the canonical SMILES of 5-Bromo-1,3-difluoro-2-methylbenzene?

The canonical SMILES of 5-Bromo-1,3-difluoro-2-methylbenzene is CC1=C(C=C(C=C1F)Br)F.

What is the CAS number of 5-Bromo-1,3-difluoro-2-methylbenzene?

The CAS number of 5-Bromo-1,3-difluoro-2-methylbenzene is 179617-08-4.

What is the hydrogen bond donor count of 5-Bromo-1,3-difluoro-2-methylbenzene?

The hydrogen bond donor count of 5-Bromo-1,3-difluoro-2-methylbenzene is 0.

What is the hydrogen bond acceptor count of 5-Bromo-1,3-difluoro-2-methylbenzene?

The hydrogen bond acceptor count of 5-Bromo-1,3-difluoro-2-methylbenzene is 2.

What is the topological polar surface area of 5-Bromo-1,3-difluoro-2-methylbenzene?

The topological polar surface area of 5-Bromo-1,3-difluoro-2-methylbenzene is 0Ų.

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