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Home > Nitro Compounds > 30459-70-2
30459-70-2 | Benzoyl chloride, 2-methyl-4-nitro-
CAS No: 30459-70-2 Catalog No: AG00306T MDL No:MFCD16117659
Product Description
Catalog Number:
AG00306T
Chemical Name:
Benzoyl chloride, 2-methyl-4-nitro-
CAS Number:
30459-70-2
Molecular Formula:
C8H6ClNO3
Molecular Weight:
199.5911
MDL Number:
MFCD16117659
IUPAC Name:
2-methyl-4-nitrobenzoyl chloride
InChI:
InChI=1S/C8H6ClNO3/c1-5-4-6(10(12)13)2-3-7(5)8(9)11/h2-4H,1H3
InChI Key:
LMDIDOFTXQERLH-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.59g/mol
Monoisotopic Mass:
199.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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