CAS
98796-53-3 Purity
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98796-53-3 Purity
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2-Bromomethyl-1-methyl-4-nitrobenzene
CAS
98799-27-0
Catalog Number
ACM98799270
Category
Other Products
Molecular Weight
230.058620 [g/mol]
Molecular Formula
C8H8BrNO2
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Specification
Synonyms
2-Bromomethyl-1-methyl-4-nitrobenzene, 98799-27-0, SureCN694999, BEN301, CTK8F4159, AG-L-63414, 2-bromomethyl-1-methyl-4-nitro-benzene, 2-(Bromomethyl)-1-methyl-4-nitrobenzene, AK-83225, KB-229190, Benzene, 2-(bromomethyl)-1-methyl-4-nitro-
IUPAC Name
2-(bromomethyl)-1-methyl-4-nitrobenzene
Canonical SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])CBr
InChI Key
VAKLDLBPYFVTTA-UHFFFAOYSA-N
Exact Mass
228.97400
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The molecular formula is C8H8BrNO2.
What is the molecular weight of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The molecular weight is 230.06 g/mol.
What is the IUPAC name of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The IUPAC name is 2-(bromomethyl)-1-methyl-4-nitrobenzene.
What is the InChI of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The InChI is InChI=1S/C8H8BrNO2/c1-6-2-3-8(10(11)12)4-7(6)5-9/h2-4H,5H2,1H3.
What is the InChIKey of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The InChIKey is VAKLDLBPYFVTTA-UHFFFAOYSA-N.
What is the canonical SMILES of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The canonical SMILES is CC1=C(C=C(C=C1)[N+](=O)[O-])CBr.
What is the CAS number of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The CAS number is 98799-27-0.
What is the XLogP3 value of 2-Bromomethyl-1-methyl-4-nitrobenzene?
The XLogP3 value is 3.1.
How many Hydrogen Bond Donor Counts does 2-Bromomethyl-1-methyl-4-nitrobenzene have?
It has 0 Hydrogen Bond Donor Counts.
How many Rotatable Bond Counts does 2-Bromomethyl-1-methyl-4-nitrobenzene have?
It has 1 Rotatable Bond Count.
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