CAS
909117-15-3 Purity
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909117-15-3 Purity
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1-Bromo-4-butoxy-3-chloro-2-fluorobenzene
CAS
909122-20-9
Catalog Number
ACM909122209
Category
Other Products
Molecular Weight
281.549143 [g/mol]
Molecular Formula
C10H11BrClFO
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Specification
Synonyms
1-BROMO-4-BUTOXY-3-CHLORO-2-FLUOROBENZENE, 909122-20-9, SureCN13235154, AKOS016012338, AK123025, KB-218625
IUPAC Name
1-bromo-4-butoxy-3-chloro-2-fluorobenzene
Canonical SMILES
CCCCOC1=C(C(=C(C=C1)Br)F)Cl
InChI Key
FKWGRYNCVIFRML-UHFFFAOYSA-N
Boiling Point
284ºC
Flash Point
126ºC
Density
1.441
Exact Mass
279.96700
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene?
The molecular formula of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene is C10H11BrClFO.
What is the molecular weight of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene?
The molecular weight of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene is 281.55 g/mol.
What is the IUPAC name of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene?
The IUPAC name of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene is 1-bromo-4-butoxy-3-chloro-2-fluorobenzene.
What is the InChI of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene?
The InChI of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene is InChI=1S/C10H11BrClFO/c1-2-3-6-14-8-5-4-7(11)10(13)9(8)12/h4-5H,2-3,6H2,1H3.
What is the InChIKey of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene?
The InChIKey of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene is FKWGRYNCVIFRML-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene?
The canonical SMILES of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene is CCCCOC1=C(C(=C(C=C1)Br)F)Cl.
What is the XLogP3-AA value of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene?
The XLogP3-AA value of 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene is 4.6.
How many hydrogen bond donor counts does 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene have?
1-Bromo-4-butoxy-3-chloro-2-fluorobenzene has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene have?
1-Bromo-4-butoxy-3-chloro-2-fluorobenzene has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does 1-Bromo-4-butoxy-3-chloro-2-fluorobenzene have?
1-Bromo-4-butoxy-3-chloro-2-fluorobenzene has 4 rotatable bond counts.
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