CAS
943148-45-6 Purity
96%
943148-45-6 Purity
96%
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Benzene,1-methyl-4-(1-methylethyl)-2-nitro-
CAS
943-15-7
Catalog Number
ACM943157
Category
Other Products
Molecular Weight
179.22
Molecular Formula
C10H13NO2
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Specification
Synonyms
2-Nitro-p-cymene, 2-Nitro-para-cymene, p-Cymene, 2-nitro-, 4-Isopropyl-2-nitrotoluene, NSC9839, 147311_ALDRICH, 4-Isopropyl-1-methyl-2-nitrobenzene, MolPort-001-780-260, CID70340, NSC 9839, EINECS 213-397-2, ZINC01700212, Benzene, 1-methyl-4-(1-methylethyl)-2-nitro-, AI3-08866, ST5406555, N0801, S01-0315, 943-15-7
IUPAC Name
1-methyl-2-nitro-4-propan-2-ylbenzene
Canonical SMILES
CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-]
InChI Key
DRKFWQDBPGTSOO-UHFFFAOYSA-N
Boiling Point
241.7ºC at 760mmHg
Flash Point
90.2ºC
Density
1.069g/cm³
EC Number
213-397-2
Exact Mass
179.09500
Hazard Statements
Xn: Harmful;
H-Bond Acceptor
2
H-Bond Donor
0
Safety Description
36/37/39-26
What is the molecular formula of the compound?
The molecular formula of the compound is C10H13NO2.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-methyl-2-nitro-4-propan-2-ylbenzene.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H13NO2/c1-7(2)9-5-4-8(3)10(6-9)11(12)13/h4-7H,1-3H3.
What is the InChIKey of the compound?
The InChIKey of the compound is DRKFWQDBPGTSOO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=C(C=C(C=C1)C(C)C)[N+](=O)[O-].
What is the CAS number of the compound?
The CAS number of the compound is 943-15-7.
What is the molecular weight of the compound?
The molecular weight of the compound is 179.22 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.2.
How many hydrogen bond donor counts does the compound have?
The compound does not have any hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has two hydrogen bond acceptor counts.
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