CC1=C(C=CC(=C1)C(=O)O)Br
CAS: 7697-28-1
الاسم: 4-bromo-3-methylbenzoic acid
SMILES: CC1=C(C=CC(=C1)C(=O)O)Br

Molecular Processing

Molecular formula
C8H7BrO2
Molecular weight
215.05
Exact mass
213.9629
XLogP
2.46
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.84

Supplementary Information

InChIKey: KWVXDZLVCISXIB-UHFFFAOYSA-N
مرادفات
4-Bromo-3-methylbenzoic acid7697-28-1EINECS 231-713-7DTXSID20227752RefChem:98131DTXCID70150243231-713-74-Bromo-m-toluic Acid4-Bromo-3-methyl-benzoic acidBENZOIC ACID, 4-BROMO-3-METHYL-3-METHYL-4-BROMOBENZOIC ACIDMFCD000395264-Bromo-3-methyl benzoic acidB77W8W6R4Q4bromo-3-methylbenzoic acidUNII-B77W8W6R4Q4-bromo-5-methylbenzoic acidSCHEMBL141936STR06302SBB0631744-Bromo-3-methylbenzoic acid, 97%4-bromo-3-methylbenzenecarboxylic acidAKOS000298678AC-3917CS-W002178FB37522PS-7946BP-10001SY005296DB-005338
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